(2-methyl-1,2,3,4-tetrahydroisoquinolin-3-yl)methanamine

• ChemBase编号: 306621
• 分子式: C11H16N2
• 平均质量: 176.25814
• 单一同位素质量: 176.13134852
• SMILES: N1(Cc2c(CC1CN)cccc2)C
• Canonical SMILES: NCC1Cc2ccccc2CN1C
• InChI: InChI=1S/C11H16N2/c1-13-8-10-5-3-2-4-9(10)6-11(13)7-12/h2-5,11H,6-8,12H2,1H3
• InChIKey: ABHNZPJDOXSKGF-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: (2-methyl-1,2,3,4-tetrahydroisoquinolin-3-yl)methanamine
• IUPAC传统名: (2-methyl-3,4-dihydro-1H-isoquinolin-3-yl)methanamine
• 别名: 1-(2-methyl-1,2,3,4-tetrahydroisoquinolin-3-yl)methanamine

登记号

• MDL号: MFCD09055199

理论计算性质

• 质子受体: 2
• 质子供体: 1
• LogD (pH = 5.5): -3.0388074
• LogD (pH = 7.4): -0.8204852
• Log P: 1.2173144
• 摩尔折射率: 55.5303 cm^3
• 极化性: 21.823112 Å^3
• 极化表面积: 29.26 Å^2