(1R)-2-(methylamino)-1-phenylpropan-1-ol
PubChem CID: 16667682
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| Compound Synonyms | (1R)-2-(methylamino)-1-phenylpropan-1-ol, hydrochloride, [(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]-methylazanium, chloride, EPHEDRINE (1R,2S) HYDROCHLORIDE, SR-05000001614, SPECTRUM1500273, HMS1920K14, Pharmakon1600-01500273, CCG-38939, NSC759611, AKOS015965266, NCGC00094771-01, NCGC00094771-02, AC-20232, SR-05000001614-2 |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 32.299 |
| Hydrogen Bond Donor Count | 3.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | C1CCCCC1 |
| Np Classifier Class | Phenylalanine-derived alkaloids |
| Deep Smiles | CNC[C@@H]cccccc6))))))O))C.Cl |
| Heavy Atom Count | 13.0 |
| 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 | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | (1R)-2-(methylamino)-1-phenylpropan-1-ol, hydrochloride |
| Veber Rule | True |
| Classyfire Superclass | Benzenoids |
| Gsk 4 400 Rule | True |
| Molecular Formula | C10H16ClNO |
| Scaffold Graph Node Bond Level | c1ccccc1 |
| Inchi Key | BALXUFOVQVENIU-LQRGNCEWSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 3.0 |
| Synonyms | ephedrine hydrochloride |
| Esol Class | Soluble |
| Functional Groups | CNC, CO, Cl |
| Compound Name | (1R)-2-(methylamino)-1-phenylpropan-1-ol, hydrochloride |
| Exact Mass | 201.092 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 201.092 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 201.69 |
| Gi Absorption | True |
| Covalent Unit Count | 2.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C10H15NO.ClH/c1-8(11-2)10(12)9-6-4-3-5-7-9, /h3-8,10-12H,1-2H3, 1H/t8?,10-, /m0./s1 |
| Smiles | CC([C@@H](C1=CC=CC=C1)O)NC.Cl |
| Np Classifier Biosynthetic Pathway | Alkaloids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Np Classifier Superclass | Pseudoalkaloids |
- 1. Outgoing r'ship
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