[(2-chlorophenyl)methyl][1-phenyl(2H6)propan-2-yl]amine hydrochloride

• ChemBase编号: 164855
• 分子式: C16H19Cl2N
• 平均质量: 296.23476
• 单一同位素质量: 295.08945497
• SMILES: c1cccc(c1Cl)CNC(Cc1ccccc1)C.Cl
• Canonical SMILES: CC(Cc1ccccc1)NCc1ccccc1Cl.Cl
• InChI: InChI=1S/C16H18ClN.ClH/c1-13(11-14-7-3-2-4-8-14)18-12-15-9-5-6-10-16(15)17;/h2-10,13,18H,11-12H2,1H3;1H
• InChIKey: ASTCUURTJCZRSC-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: [(2-chlorophenyl)methyl][1-phenyl(^2H₆)propan-2-yl]amine hydrochloride
• IUPAC传统名: [(2-chlorophenyl)methyl][1-phenyl(^2H₆)propan-2-yl]amine hydrochloride
• 别名: N-[(2-Chlorophenyl)methyl]-α-methylbenzeneethanamine Hydrochloride; N-(o-Chlorobenzyl)-α-methylphenethylamine-d6 Hydrochloride; rac Clobenzorex-d6 Hydrochloride

登记号

• PubChem SID: 162258989
• PubChem CID: 71314916

理论计算性质

• 质子受体: 1
• 质子供体: 1
• LogD (pH = 5.5): 1.461954
• LogD (pH = 7.4): 2.8058062
• Log P: 4.5653486
• 摩尔折射率: 77.8972 cm^3
• 极化性: 30.717342 Å^3
• 极化表面积: 12.03 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 - C583002

Labelled Clobenzorex (C583000). Anorexic.

参考文献

• Thomasset, M., et al.: Experienta, 26, 692 (1970)
• Glasson, B., et al.: Arzneim.-Forsch., 21, 1985 (1970)