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

• ChemBase编号: 161319
• 分子式: C17H22ClN
• 平均质量: 275.81628
• 单一同位素质量: 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

名称和登记号

名称

• IUPAC标准名: benzyl(methyl)(1-phenylpropan-2-yl)amine hydrochloride
• IUPAC传统名: d-benzphetamine hydrochloride
• 别名: N,α-Dimethyl-N-(phenylmethyl)benzeneethanamine Hydrochloride; N-Benzyl-N,α-dimethylphenethylamine Hydrochloride; dl-Benzphetamine Hydrochloride; rac Benzphetamine Hydrochloride

登记号

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

理论计算性质

• 质子受体: 1
• 质子供体: 0
• LogD (pH = 5.5): 0.90645355
• LogD (pH = 7.4): 1.9718962
• Log P: 4.344352
• 摩尔折射率: 78.3871 cm^3
• 极化性: 30.702745 Å^3
• 极化表面积: 3.24 Å^2
• 可自由旋转的化学键: 5
• 里宾斯基五规则: true

详细说明

Toronto Research Chemicals - B209880

Controlled substance (stimulant). Anorexic.

参考文献

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