2-(4-chlorophenyl)-4-[(4-methoxy-3,5-dimethylpyridin-2-yl)methyl]morpholine

• ChemBase编号: 676641
• 分子式: C19H23ClN2O2
• 平均质量: 346.85112
• 单一同位素质量: 346.14480567
• SMILES: c1(c(ncc(c1OC)C)CN1CC(c2ccc(cc2)Cl)OCC1)C
• Canonical SMILES: COc1c(C)cnc(c1C)CN1CCOC(C1)c1ccc(cc1)Cl
• InChI: InChI=1S/C19H23ClN2O2/c1-13-10-21-17(14(2)19(13)23-3)11-22-8-9-24-18(12-22)15-4-6-16(20)7-5-15/h4-7,10,18H,8-9,11-12H2,1-3H3
• InChIKey: CZISRCAQDNLHII-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2-(4-chlorophenyl)-4-[(4-methoxy-3,5-dimethylpyridin-2-yl)methyl]morpholine
• IUPAC传统名: 2-(4-chlorophenyl)-4-[(4-methoxy-3,5-dimethylpyridin-2-yl)methyl]morpholine
• 别名: 2-(4-chlorophenyl)-4-[(4-methoxy-3,5-dimethylpyridin-2-yl)methyl]morpholine

理论计算性质

JChem

• 质子受体: 4
• 质子供体: 0
• LogD (pH = 5.5): 2.7488782
• LogD (pH = 7.4): 3.7484434
• Log P: 3.817398
• 摩尔折射率: 96.6293 cm^3
• 极化性: 37.621525 Å^3
• 极化表面积: 34.59 Å^2
• 可自由旋转的化学键: 4
• 里宾斯基五规则: true

Provided by Chembridge

• 质子受体: 4
• 质子供体: 0
• Log P: 3.47
• LOG S: -3.69
• 极化表面积: 34.59 Å^2
• 可自由旋转的化学键: 4