[(2-methylphenyl)methyl](1-phenylethyl)amine

• ChemBase编号: 311639
• 分子式: C16H19N
• 平均质量: 225.32876
• 单一同位素质量: 225.15174961
• SMILES: N(Cc1c(C)cccc1)C(c1ccccc1)C
• Canonical SMILES: CC(c1ccccc1)NCc1ccccc1C
• InChI: InChI=1S/C16H19N/c1-13-8-6-7-11-16(13)12-17-14(2)15-9-4-3-5-10-15/h3-11,14,17H,12H2,1-2H3
• InChIKey: KNHPPIQCIOYHFR-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: [(2-methylphenyl)methyl](1-phenylethyl)amine
• IUPAC传统名: [(2-methylphenyl)methyl](1-phenylethyl)amine
• 别名: (2-methylbenzyl)(1-phenylethyl)amine

登记号

• CAS号: 356531-09-4
• MDL号: MFCD03210719

理论计算性质

• 质子受体: 1
• 质子供体: 1
• LogD (pH = 5.5): 1.0585846
• LogD (pH = 7.4): 2.3358846
• Log P: 4.1860642
• 摩尔折射率: 73.3786 cm^3
• 极化性: 28.852722 Å^3
• 极化表面积: 12.03 Å^2