2-(Methylamino)-1-phenyl-1-propanol
PubChem CID: 5032
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| Compound Synonyms | 53214-57-6, racephedrine, 2-(methylamino)-1-phenylpropan-1-ol, 2-(Methylamino)-1-phenyl-1-propanol, 1-EPHEDRINE, Benzenemethanol, .alpha.-[1-(methylamino)ethyl]-, 1-Phenyl-2-methylaminopropanol, Benzyl alcohol, .alpha.-(1-methylaminoethyl)-, Ephedrine,(+), Ephedrine, (-)-, Pseudoephedrine, (-), 1-.alpha.-(1-Methylaminoethyl)-benzyl alcohol, Ephedrital, Ephedrosan, Ephedrotal, Ephendronal, Racefedrina, Efedrin, Ephedsol, Ephoxamin, Kratedyn, Manadrin, Vencipon, Zephrol, Nasol, Racephedrine hydrochloride, NSC8971, Benzenemethanol, [R-(R*,S*)]-, WLN: QYR & Y1 & M1, l-.alpha.-(1-Methylaminoethyl)benzyl alcohol, Ephedrine,(-), (-)-.alpha.-(1-Methylaminoethyl)benzyl alcohol, .alpha.-Hydroxy-.beta.-methyl amine propylbenzene, (1R,2S)-(-)-ephedrine, NSC 165609, NSC170951, 1-alpha-(1-Methylaminoethyl)-benzyl alcohol, 1-Hydroxy-2-methylamino-1-phenylpropane, BENZYL ALCOHOL, alpha-(1-METHYLAMINOETHYL)-, Spectrum2_001309, Spectrum3_000563, Spectrum4_000497, Spectrum5_001106, SCHEMBL4369, Benzenemethanol, alpha-(1-(methylamino)ethyl)-, 1R, 2S (-)-Ephedrine, Oprea1_287330, BSPBio_001946, Ephedrine, (.+/-.)-, KBioGR_001013, WLN: QYR&Y1&M1, DivK1c_000181, DivK1c_000461, SPBio_001377, Benzenemethanol, .alpha.-[1-(methylamino)ethyl]-, [S-(R*,R*)]-, CHEMBL279157, BDBM86284, KBio1_000181, KBio1_000461, KBio3_001446, DTXSID70858959, NINDS_000181, NINDS_000461, HMS3370H05, CAS_5032, STR02792, BBL010298, NSC165609, PDSP1_000168, PDSP1_001106, PDSP2_000167, PDSP2_001090, STK367993, AKOS005445214, NSC-165609, IDI1_000181, IDI1_000461, 2-(Methylamino)-1-phenyl-1-propanol #, NCGC00015408-02, NCGC00015408-05, DA-05155, Benzenemethanol,a-[1-(methylamino)ethyl]-, SBI-0051503.P003, CAS_24221-86-1, NS00098609, C22822, AB01563268_01, L000968, BRD-A54236247-003-02-7, BRD-A54236247-003-03-5, BRD-A54236247-003-04-3, Benzenemethanol, .alpha.-[1-(methylamino)ethyl]-, (R*,S*)-(.+/-.)- |
|---|---|
| Ghose Rule | True |
| 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 | Phenylalanine-derived alkaloids |
| Deep Smiles | CNCCcccccc6))))))O))C |
| Heavy Atom Count | 12.0 |
| Classyfire Class | Benzene and substituted derivatives |
| Scaffold Graph Node Level | C1CCCCC1 |
| Classyfire Subclass | Phenylpropanes |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 121.0 |
| Database Name | cmaup_ingredients;hmdb_chem_all;imppat_phytochem;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-(methylamino)-1-phenylpropan-1-ol |
| Prediction Hob | 1.0 |
| Class | Benzene and substituted derivatives |
| Veber Rule | True |
| Classyfire Superclass | Benzenoids |
| Xlogp | 0.9 |
| Superclass | Benzenoids |
| Subclass | Phenylpropanes |
| Gsk 4 400 Rule | True |
| Molecular Formula | C10H15NO |
| Scaffold Graph Node Bond Level | c1ccccc1 |
| Prediction Swissadme | 1.0 |
| Inchi Key | KWGRBVOPPLSCSI-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Fcsp3 | 0.4 |
| Rotatable Bond Count | 3.0 |
| Synonyms | 1-ephedrine |
| Esol Class | Very soluble |
| Functional Groups | CNC, CO |
| Compound Name | 2-(Methylamino)-1-phenyl-1-propanol |
| Kingdom | Organic compounds |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 165.115 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 165.115 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 165.23 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Lipinski Rule Of 5 | True |
| Esol | -1.6223632000000001 |
| Inchi | InChI=1S/C10H15NO/c1-8(11-2)10(12)9-6-4-3-5-7-9/h3-8,10-12H,1-2H3 |
| Smiles | CC(C(C1=CC=CC=C1)O)NC |
| Np Classifier Biosynthetic Pathway | Alkaloids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Taxonomy Direct Parent | Phenylpropanes |
| Np Classifier Superclass | Pseudoalkaloids |
- 1. Outgoing r'ship
FOUND_INto/from Carapichea Ipecacuanha (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Ephedra Distachya (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 3. Outgoing r'ship
FOUND_INto/from Ephedra Equisetina (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 4. Outgoing r'ship
FOUND_INto/from Ephedra Gerardiana (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 5. Outgoing r'ship
FOUND_INto/from Ephedra Intermedia (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 6. Outgoing r'ship
FOUND_INto/from Ephedra Sinica (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 7. Outgoing r'ship
FOUND_INto/from Hamelia Patens (Plant) Rel Props:Reference:ISBN:9788172362300 - 8. Outgoing r'ship
FOUND_INto/from Pinellia Ternata (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 9. Outgoing r'ship
FOUND_INto/from Sida Acuta (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all