[2-methoxy-1-(pyridin-2-yl)ethyl][(2-methoxy-3,5-dimethylphenyl)methyl]methylamine

• ChemBase编号: 407216
• 分子式: C19H26N2O2
• 平均质量: 314.42194
• 单一同位素质量: 314.19942808
• SMILES: c1(c(c(cc(c1)C)C)OC)CN(C(c1ncccc1)COC)C
• Canonical SMILES: COCC(N(Cc1cc(C)cc(c1OC)C)C)c1ccccn1
• InChI: InChI=1S/C19H26N2O2/c1-14-10-15(2)19(23-5)16(11-14)12-21(3)18(13-22-4)17-8-6-7-9-20-17/h6-11,18H,12-13H2,1-5H3
• InChIKey: UWUBYBQXZJZIHP-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: [2-methoxy-1-(pyridin-2-yl)ethyl][(2-methoxy-3,5-dimethylphenyl)methyl]methylamine
• IUPAC传统名: [2-methoxy-1-(pyridin-2-yl)ethyl][(2-methoxy-3,5-dimethylphenyl)methyl]methylamine
• 别名: (2-methoxy-3,5-dimethylbenzyl)(2-methoxy-1-pyridin-2-ylethyl)methylamine

理论计算性质

JChem

• 质子受体: 4
• 质子供体: 0
• LogD (pH = 5.5): 2.5103936
• LogD (pH = 7.4): 3.4871714
• Log P: 3.5370674
• 摩尔折射率: 93.8686 cm^3
• 极化性: 36.5021 Å^3
• 极化表面积: 34.59 Å^2
• 可自由旋转的化学键: 7
• 里宾斯基五规则: true

Provided by Chembridge

• 质子受体: 4
• 质子供体: 0
• Log P: 2.5
• LOG S: -1.32
• 极化表面积: 34.59 Å^2
• 可自由旋转的化学键: 7