benzyl(methyl)(1-phenylpropan-2-yl)amine hydrochloride

• ChemBase ID: 161319
• Molecular Formular: C17H22ClN
• Molecular Mass: 275.81628
• Monoisotopic Mass: 275.14407739
• SMILES: c1cccc(c1)CC(N(Cc1ccccc1)C)C.Cl
• Canonical SMILES: CN(C(Cc1ccccc1)C)Cc1ccccc1.Cl
• InChI: InChI=1S/C17H21N.ClH/c1-15(13-16-9-5-3-6-10-16)18(2)14-17-11-7-4-8-12-17;/h3-12,15H,13-14H2,1-2H3;1H
• InChIKey: ANFSNXAXVLRZCG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: benzyl(methyl)(1-phenylpropan-2-yl)amine hydrochloride
• IUPAC Traditional name: d-benzphetamine hydrochloride
• Synonyms: N,α-Dimethyl-N-(phenylmethyl)benzeneethanamine Hydrochloride; N-Benzyl-N,α-dimethylphenethylamine Hydrochloride; dl-Benzphetamine Hydrochloride; rac Benzphetamine Hydrochloride

Database IDs

• CAS Number: 1027-30-1
• PubChem SID: 162255454
• PubChem CID: 62573

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 0.90645355
• LogD (pH = 7.4): 1.9718962
• Log P: 4.344352
• Molar Refractivity: 78.3871 cm^3
• Polarizability: 30.702745 Å^3
• Polar Surface Area: 3.24 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

DETAILS

Toronto Research Chemicals - B209880

Controlled substance (stimulant). Anorexic.

REFERENCES

• Stewart, J.T., et al.: J. Pharma. Sci., 60, 461 (1971)