5-{[2-(6-methoxynaphthalen-2-yl)morpholin-4-yl]methyl}-N,N-dimethylpyridin-2-amine

• ChemBase编号: 590673
• 分子式: C23H27N3O2
• 平均质量: 377.47938
• 单一同位素质量: 377.21032712
• SMILES: n1c(N(C)C)ccc(CN2CC(c3cc4c(cc(cc4)OC)cc3)OCC2)c1
• Canonical SMILES: COc1ccc2c(c1)ccc(c2)C1OCCN(C1)Cc1ccc(nc1)N(C)C
• InChI: InChI=1S/C23H27N3O2/c1-25(2)23-9-4-17(14-24-23)15-26-10-11-28-22(16-26)20-6-5-19-13-21(27-3)8-7-18(19)12-20/h4-9,12-14,22H,10-11,15-16H2,1-3H3
• InChIKey: XHWVCYWOXOISKF-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 5-{[2-(6-methoxynaphthalen-2-yl)morpholin-4-yl]methyl}-N,N-dimethylpyridin-2-amine
• IUPAC传统名: 5-{[2-(6-methoxynaphthalen-2-yl)morpholin-4-yl]methyl}-N,N-dimethylpyridin-2-amine
• 别名: 5-{[2-(6-methoxy-2-naphthyl)morpholin-4-yl]methyl}-N,N-dimethylpyridin-2-amine

理论计算性质

JChem

• 质子受体: 5
• 质子供体: 0
• LogD (pH = 5.5): 2.2877727
• LogD (pH = 7.4): 3.6564794
• Log P: 3.7970169
• 摩尔折射率: 113.4566 cm^3
• 极化性: 44.596733 Å^3
• 极化表面积: 37.83 Å^2
• 可自由旋转的化学键: 5
• 里宾斯基五规则: true

Provided by Chembridge

• 质子受体: 4
• 质子供体: 0
• Log P: 3.51
• LOG S: -3.94
• 极化表面积: 37.83 Å^2
• 可自由旋转的化学键: 5