[2-methoxy-1-(pyridin-2-yl)ethyl](methyl)({2-methylimidazo[1,2-a]pyridin-3-yl}methyl)amine

• ChemBase编号: 632968
• 分子式: C18H22N4O
• 平均质量: 310.39348
• 单一同位素质量: 310.17936134
• SMILES: c1(n2c(nc1C)cccc2)CN(C(c1ncccc1)COC)C
• Canonical SMILES: COCC(N(Cc1c(C)nc2n1cccc2)C)c1ccccn1
• InChI: InChI=1S/C18H22N4O/c1-14-16(22-11-7-5-9-18(22)20-14)12-21(2)17(13-23-3)15-8-4-6-10-19-15/h4-11,17H,12-13H2,1-3H3
• InChIKey: SFSBXPFMIWVVLG-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: [2-methoxy-1-(pyridin-2-yl)ethyl](methyl)({2-methylimidazo[1,2-a]pyridin-3-yl}methyl)amine
• IUPAC传统名: [2-methoxy-1-(pyridin-2-yl)ethyl](methyl)({2-methylimidazo[1,2-a]pyridin-3-yl}methyl)amine
• 别名: (2-methoxy-1-pyridin-2-ylethyl)methyl[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]amine

理论计算性质

JChem

• 质子受体: 4
• 质子供体: 0
• LogD (pH = 5.5): 0.1970744
• LogD (pH = 7.4): 1.4312831
• Log P: 1.5055709
• 摩尔折射率: 91.6704 cm^3
• 极化性: 35.17115 Å^3
• 极化表面积: 42.66 Å^2
• 可自由旋转的化学键: 6
• 里宾斯基五规则: true

Provided by Chembridge

• 质子受体: 4
• 质子供体: 0
• Log P: 1.25
• LOG S: -0.22
• 极化表面积: 42.66 Å^2
• 可自由旋转的化学键: 6