N-[(2,3-dimethoxyphenyl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine

• ChemBase编号: 310887
• 分子式: C19H23NO2
• 平均质量: 297.39142
• 单一同位素质量: 297.17287898
• SMILES: c1(c(CNC2c3c(CCC2)cccc3)cccc1OC)OC
• Canonical SMILES: COc1c(CNC2CCCc3c2cccc3)cccc1OC
• InChI: InChI=1S/C19H23NO2/c1-21-18-12-6-9-15(19(18)22-2)13-20-17-11-5-8-14-7-3-4-10-16(14)17/h3-4,6-7,9-10,12,17,20H,5,8,11,13H2,1-2H3
• InChIKey: BVXPLFANJOANFL-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N-[(2,3-dimethoxyphenyl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine
• IUPAC传统名: N-[(2,3-dimethoxyphenyl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine
• 别名: (2,3-dimethoxybenzyl)1,2,3,4-tetrahydronaphthalen-1-ylamine

登记号

• CAS号: 353773-37-2
• MDL号: MFCD02051601

理论计算性质

• 质子受体: 3
• 质子供体: 1
• LogD (pH = 5.5): 1.0345246
• LogD (pH = 7.4): 2.6565232
• Log P: 3.9295182
• 摩尔折射率: 89.0268 cm^3
• 极化性: 34.903267 Å^3
• 极化表面积: 30.49 Å^2