[(2-methoxyphenyl)methyl][(2-methylphenyl)methyl]amine

• ChemBase编号: 310966
• 分子式: C16H19NO
• 平均质量: 241.32816
• 单一同位素质量: 241.14666423
• SMILES: c1(c(OC)cccc1)CNCc1c(C)cccc1
• Canonical SMILES: COc1ccccc1CNCc1ccccc1C
• InChI: InChI=1S/C16H19NO/c1-13-7-3-4-8-14(13)11-17-12-15-9-5-6-10-16(15)18-2/h3-10,17H,11-12H2,1-2H3
• InChIKey: FTJHQOKVUIUOOK-UHFFFAOYSA-N

名称和登记号

名称

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

登记号

• CAS号: 418781-82-5
• MDL号: MFCD00981198

理论计算性质

• 质子受体: 2
• 质子供体: 1
• LogD (pH = 5.5): 0.7461094
• LogD (pH = 7.4): 2.3873014
• Log P: 3.6118178
• 摩尔折射率: 75.423 cm^3
• 极化性: 29.466183 Å^3
• 极化表面积: 21.26 Å^2