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

• ChemBase ID: 175574
• Molecular Formular: C16H20ClN
• Molecular Mass: 261.7897
• Monoisotopic Mass: 261.12842733
• SMILES: c1cccc(c1)CC(NCc1ccccc1)C.Cl
• Canonical SMILES: CC(Cc1ccccc1)NCc1ccccc1.Cl
• InChI: InChI=1S/C16H19N.ClH/c1-14(12-15-8-4-2-5-9-15)17-13-16-10-6-3-7-11-16;/h2-11,14,17H,12-13H2,1H3;1H
• InChIKey: VRMZVDMDDHHROA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: benzyl(1-phenylpropan-2-yl)amine hydrochloride
• IUPAC Traditional name: norbenzphetamine hydrochloride
• Synonyms: α-Μethyl-N-(phenylmethyl)benzeneethanamine Hydrochloride; N-Βenzyl-α-methylphenethylamine Ηydrochloride; Nor Benzphetamine Hydrochloride

Database IDs

• CAS Number: 1085-43-4
• PubChem SID: 164231484
• PubChem CID: 12516820

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 0.74444073
• LogD (pH = 7.4): 1.477034
• Log P: 3.961304
• Molar Refractivity: 73.0924 cm^3
• Polarizability: 28.856005 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Methanol
• Apperance: White Solid
• Melting Point: 193-195°C

Safety Information

• Storage Condition: Refrigerator

DETAILS

Toronto Research Chemicals - N661100

A metabolite of Benzphetamine (BMA).

REFERENCES

• Buening, M.K., et al.: Drug Metab. Dispos., 4, 556 (1976)
• Gumbrecht, J.R., et al.: Xenobiotica, 9, 547 (1976)
• Tao, W., et al.: Anal. Chem., 73, 1692 (1976)