N-Methyltyramine
PubChem CID: 9727
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| Compound Synonyms | N-Methyltyramine, 370-98-9, 4-[2-(Methylamino)ethyl]phenol, N-Methyl-p-tyramine, Methyl-4-tyramine, 4-(2-(Methylamino)ethyl)phenol, 4-Hydroxy-N-methylphenethylamine, 4-(2-METHYLAMINO-ETHYL)-PHENOL, Tyramine, N-methyl-, p-(2-Methylaminoethyl)phenol, N-Methyl-4-tyramine, Phenol, 4-[2-(methylamino)ethyl]-, p-(2-(Methylamino)ethyl)phenol, WIN 5582, methyl tyramine, p-[2-(Methylamino)ethyl]phenol, UNII-G3S4E2F7TA, EINECS 206-731-3, Phenol, 4-(2-(methylamino)ethyl)-, 4-(2-Methylaminoethyl)phenol, NSC 113958, BRN 2357129, Phenol, p-[2-(methylamino)ethyl]-, NSC-113958, G3S4E2F7TA, PHENOL, p-(2-METHYLAMINOETHYL)-, CHEMBL5169925, CHEBI:17458, DTXSID60190496, p-[2-(methylamino)ethyl]-Phenol, 4-(2-(methylamino)ethyl)-Phenol, 4-[2-(methylamino)ethyl]-Phenol, {p-[2-(Methylamino)ethyl]phenol}, 4-13-00-01790 (Beilstein Handbook Reference), PHENOL, P-(2-(METHYLAMINO)ETHYL)-, N-METHYL-N-(2-(4-HYDROXYPHENYL)ETHYL)AMINE, p-(2-(Methylamino)ethyl)-phenol, (p-(2-(methylamino)ethyl)phenol), N-methyl Tyramine (hydrochloride), benzene, 1-hydroxy-4-(2-methylamino)ethyl-, N-methyl-N-(2-[4-hydroxyphenyl]ethyl)amine, 4-Hydroxy-N-methylphenethylamine, Methyl-4-tyramine, p-(2-(Methylamino)ethyl)phenol, Tyramine, Nmethyl, MFCD00870493, p(2Methylaminoethyl)phenol, 4HydroxyNmethylphenethylamine, p(2(Methylamino)ethyl)phenol, Phenol, p(2methylaminoethyl), SCHEMBL274906, Phenol, 4(2(methylamino)ethyl), DTXCID70112987, BDBM50601684, NSC113958, AKOS006273439, FS-4906, HY-W153897, NCGC00488573-01, Phenol, 4(2(methylamino)ethyl) (9CI), CS-0210311, NS00030156, N-methyl-N-(2-[4-hydroxyphenyl]ethyl) amine, C02442, EN300-233508, G78327, AA-504/21027007, Q309527, BRD-K79134921-001-01-2 |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 32.299 |
| Hydrogen Bond Donor Count | 2.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | C1CCCCC1 |
| Np Classifier Class | Phenylethylamines |
| Deep Smiles | CNCCcccccc6))O |
| Heavy Atom Count | 11.0 |
| Classyfire Class | Benzene and substituted derivatives |
| Description | Present in germinating barley roots but not dormant grainsand is also present in dormant sawa millet seed hulls, but not hulled seeds. Alkaloid from prosso millet (Panicum miliaceum) N-methyltyramine (NMT) is a phenolic amine. NMT is a potent stimulant of gastrin release present in alcoholic beverages produced by alcoholic fermentation, but not by distillation (i.e.: beer.). NMT is well absorbed in the small intestine, especially in the duodenum and jejunum. NMT is metabolized in the liver (the site of first-pass metabolism), but not in the small-intestinal mucosa. NMT is occasionally present in the stools of children and infants. Satisfactory results have been obtained in treating infective shock with injection of natural Fructus Aurantii immaturus (nat-FAI), the anti-shock effective compositions in FAI have been proved to be synephrine and NMT. (PMID: 10772638, 2570680). N-Methyltyramine is found in many foods, some of which are cereals and cereal products, lemon, barley, and sweet orange. |
| Scaffold Graph Node Level | C1CCCCC1 |
| Classyfire Subclass | Phenethylamines |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 97.7 |
| Database Name | cmaup_ingredients;fooddb_chem_all;hmdb_chem_all;imppat_phytochem;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | O60678, Q9Y5R4, Q6P1Q9, Q8TCB7, O43709 |
| Iupac Name | 4-[2-(methylamino)ethyl]phenol |
| Prediction Hob | 1.0 |
| Class | Benzene and substituted derivatives |
| Veber Rule | True |
| Classyfire Superclass | Benzenoids |
| Xlogp | 1.6 |
| Superclass | Benzenoids |
| Subclass | Phenethylamines |
| Gsk 4 400 Rule | True |
| Molecular Formula | C9H13NO |
| Scaffold Graph Node Bond Level | c1ccccc1 |
| Prediction Swissadme | 1.0 |
| Inchi Key | AXVZFRBSCNEKPQ-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Fcsp3 | 0.3333333333333333 |
| Logs | -4.761 |
| Rotatable Bond Count | 3.0 |
| State | Solid |
| Logd | 4.076 |
| Synonyms | {p-[2-(methylamino)ethyl]phenol}, 4-(2-(Methylamino)ethyl)-phenol, 4-(2-Methylaminoethyl)phenol, 4-[2-(Methylamino)ethyl]-phenol, 4-[2-(Methylamino)ethyl]phenol, 4-[2-(Methylamino)ethyl]phenol, 9CI, 4-Hydroxy-N-methylphenethylamine, Methyl tyramine, Methyl-4-tyramine, N-Methyl-p-tyramine, N-Methyltyramine, N-Methyltyraminium, N-Methyltyrosamine, NMT, NSC 113958, p-(2-(Methylamino)ethyl)phenol, p-(2-Methylaminoethyl)phenol, p-[2-(Methylamino)ethyl]-phenol, p-[2-(Methylamino)ethyl]phenol, Methyl-4-tyramine hydrochloride, Methyl-4-tyramine hydrobromide, n-me-tyramine, n-methyl tyramine, n-methyltyramine |
| Substituent Name | Phenethylamine, Aralkylamine, Phenol, Secondary amine, Secondary aliphatic amine, Hydrocarbon derivative, Organooxygen compound, Organonitrogen compound, Amine, Aromatic homomonocyclic compound |
| Esol Class | Very soluble |
| Functional Groups | CNC, cO |
| Compound Name | N-Methyltyramine |
| Kingdom | Organic compounds |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 151.1 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 151.1 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 151.21 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Lipinski Rule Of 5 | True |
| Esol | -1.9974321636363632 |
| Inchi | InChI=1S/C9H13NO/c1-10-7-6-8-2-4-9(11)5-3-8/h2-5,10-11H,6-7H2,1H3 |
| Smiles | CNCCC1=CC=C(C=C1)O |
| Nring | 3.0 |
| Np Classifier Biosynthetic Pathway | Alkaloids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Taxonomy Direct Parent | Phenethylamines |
| Np Classifier Superclass | Tyrosine alkaloids |
- 1. Outgoing r'ship
FOUND_INto/from Acacia Schweinfurthii (Plant) Rel Props:Reference:ISBN:9788185042114 - 2. Outgoing r'ship
FOUND_INto/from Alhagi Maurorum (Plant) Rel Props:Reference:ISBN:9770972795006; ISBN:9788172363178 - 3. Outgoing r'ship
FOUND_INto/from Bidens Andicola (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 4. Outgoing r'ship
FOUND_INto/from Bunium Paucifolium (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 5. Outgoing r'ship
FOUND_INto/from Citrus Aurantium (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 6. Outgoing r'ship
FOUND_INto/from Citrus Chachiensis (Plant) Rel Props:Source_db:npass_chem_all - 7. Outgoing r'ship
FOUND_INto/from Citrus Limon (Plant) Rel Props:Source_db:fooddb_chem_all - 8. Outgoing r'ship
FOUND_INto/from Citrus Natsudaidai (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 9. Outgoing r'ship
FOUND_INto/from Citrus Reticulata (Plant) Rel Props:Source_db:cmaup_ingredients;fooddb_chem_all;npass_chem_all - 10. Outgoing r'ship
FOUND_INto/from Citrus Sinensis (Plant) Rel Props:Source_db:cmaup_ingredients;fooddb_chem_all;npass_chem_all - 11. Outgoing r'ship
FOUND_INto/from Citrus Trifoliata (Plant) Rel Props:Source_db:cmaup_ingredients - 12. Outgoing r'ship
FOUND_INto/from Citrus Unshiu (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 13. Outgoing r'ship
FOUND_INto/from Desmodium Gangeticum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 14. Outgoing r'ship
FOUND_INto/from Hordeum Vulgare (Plant) Rel Props:Source_db:cmaup_ingredients;fooddb_chem_all;npass_chem_all - 15. Outgoing r'ship
FOUND_INto/from Ligularia Hodgsonii (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all