3-Methylamino-1-phenylpropanol
PubChem CID: 2733989
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| Compound Synonyms | 42142-52-9, 3-HYDROXY-N-METHYL-3-PHENYL-PROPYLAMINE, 3-(methylamino)-1-phenylpropan-1-ol, alpha-[2-(Methylamino)ethyl]benzyl alcohol, 3-Hydroxy-N-methyl-3-phenylpropylamine, 3-METHYLAMINO-1-PHENYLPROPANOL, EINECS 255-679-8, 3-(methylamino)-1-phenyl-1-propanol, I28ND993BO, MFCD00674078, DTXSID40866081, EC 255-679-8, a-[2-(methylamino)ethyl]benzyl alcohol, alpha-(2-(Methylamino)ethyl)benzyl alcohol, (1RS)-3-(Methylamino)-1-phenylpropan-1-ol, (+/-)-n-methyl-3-hydroxy-3-phenylpropylamine, BENZENEMETHANOL, .ALPHA.-(2-(METHYLAMINO)ETHYL)-, Destolyl Atomoxetine, alpha-[2-(methylamino)ethyl]benzenemethanol, 3-Methylamino-1-phenyl-propan-1-ol, 3-(Methylamino)-1-phenyl-propan-1-ol, UNII-I28ND993BO, (1RS)-3-(Methylamino)-1-phenylpropan-1-ol, Fluoxetine Hydrochloride Imp. A (EP), Atomoxetine Hydrochloride Impurity H, Fluoxetine Hydrochloride Impurity A, Atomoxetine Impurity H, Fluoxetine Impurity A, N-Methyl-3-hydroxy-3-phenyl-propylamine, 3-METHYLAMINO-1-PHENYL-1-PROPANOL, Fluoxetine impurity A CRS, Benzenemethanol, alpha-(2-(methylamino)ethyl)-, SCHEMBL526622, DTXCID90814416, 3-(Methylamino)-1-phenylpropanol, QEA29081, BBL103097, STL556907, N-methyl-3phenyl-3-hydroxypropylamine, AKOS005216445, AKOS016842442, gamma-hydroxy-N-methylphenylpropylamine, -[2-(Methylamino)ethyl]benzenemethanol, AB06932, AC-1834, FM02610, N-methyl-3-hydroxy-3-phenylpropylamine, SB76266, SB76272, 1-phenyl-3-(N-methylamino)propan-1-ol, N-methyl-3-phenyl-3-hydroxypropyl-amine, , A-[2-(Methylamino)ethyl]benzenemethanol, , A-[2-(Methylamino)ethyl]benzyl alcohol, 1-phenyl-3-(n-methylamino)-propan-1-ol, AS-15329, N-methyl-3-phenyl-3-hydroxy propyl amine, N-methyl-3-phenyl-3-hydroxy-propyl-amine, SY050893, , A, -[2-(Methylamino)ethyl]benzyl Alcohol, DB-021724, A6890, alpha -[2-(Methylamino)ethyl]benzyl alcohol, CS-0010500, M1960, NS00056705, EN300-61855, F17750, N-METHYL-3-PHENYL-3-HYDROXYPROPYLAMINE, alpha-[2-(Methylamino)ethyl]benzyl alcohol, 97%, Q27280280, Z972827406, ATOMOXETINE HYDROCHLORIDE IMPURITY H [EP IMPURITY], 3-Methylamino-1-phenyl propan-1-ol, 3-Hydroxy-N-methyl-3-phenyl-propylamine |
|---|---|
| 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, Phenylethylamines |
| Deep Smiles | CNCCCcccccc6))))))O |
| Heavy Atom Count | 12.0 |
| Classyfire Class | Organonitrogen compounds |
| Scaffold Graph Node Level | C1CCCCC1 |
| Classyfire Subclass | Amines |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 110.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 3-(methylamino)-1-phenylpropan-1-ol |
| Veber Rule | True |
| Classyfire Superclass | Organic nitrogen compounds |
| Xlogp | 1.0 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C10H15NO |
| Scaffold Graph Node Bond Level | c1ccccc1 |
| Inchi Key | XXSDCGNHLFVSET-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 4.0 |
| Synonyms | 2-(methyl-amino)-benzyl-alcohol |
| Esol Class | Very soluble |
| Functional Groups | CNC, CO |
| Compound Name | 3-Methylamino-1-phenylpropanol |
| 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 | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C10H15NO/c1-11-8-7-10(12)9-5-3-2-4-6-9/h2-6,10-12H,7-8H2,1H3 |
| Smiles | CNCCC(C1=CC=CC=C1)O |
| Np Classifier Biosynthetic Pathway | Alkaloids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Np Classifier Superclass | Tyrosine alkaloids, Pseudoalkaloids |
- 1. Outgoing r'ship
FOUND_INto/from Citrus Sinensis (Plant) Rel Props:Reference:https://doi.org/10.15482/usda.adc/1239279