(2-methoxyethyl)[(6-methoxypyridin-3-yl)methyl][(4-methylphenyl)methyl]amine

• ChemBase编号: 460357
• 分子式: C18H24N2O2
• 平均质量: 300.39536
• 单一同位素质量: 300.18377802
• SMILES: n1c(ccc(CN(Cc2ccc(cc2)C)CCOC)c1)OC
• Canonical SMILES: COCCN(Cc1ccc(cc1)C)Cc1ccc(nc1)OC
• InChI: InChI=1S/C18H24N2O2/c1-15-4-6-16(7-5-15)13-20(10-11-21-2)14-17-8-9-18(22-3)19-12-17/h4-9,12H,10-11,13-14H2,1-3H3
• InChIKey: CQOXCFDSSZQOMV-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: (2-methoxyethyl)[(6-methoxypyridin-3-yl)methyl][(4-methylphenyl)methyl]amine
• IUPAC传统名: (2-methoxyethyl)[(6-methoxypyridin-3-yl)methyl][(4-methylphenyl)methyl]amine
• 别名: (2-methoxyethyl)[(6-methoxypyridin-3-yl)methyl](4-methylbenzyl)amine

理论计算性质

JChem

• 质子受体: 4
• 质子供体: 0
• LogD (pH = 5.5): 0.946455
• LogD (pH = 7.4): 2.6978679
• Log P: 3.3246753
• 摩尔折射率: 89.9178 cm^3
• 极化性: 34.740112 Å^3
• 极化表面积: 34.59 Å^2
• 可自由旋转的化学键: 8
• 里宾斯基五规则: true

Provided by Chembridge

• 质子受体: 4
• 质子供体: 0
• Log P: 3.62
• LOG S: -3.47
• 极化表面积: 34.59 Å^2
• 可自由旋转的化学键: 8