[(2-{furo[3,2-c]pyridin-4-yloxy}phenyl)methyl]dimethylamine

• ChemBase编号: 405879
• 分子式: C16H16N2O2
• 平均质量: 268.31044
• 单一同位素质量: 268.12117776
• SMILES: c1(c2c(occ2)ccn1)Oc1c(CN(C)C)cccc1
• Canonical SMILES: CN(Cc1ccccc1Oc1nccc2c1cco2)C
• InChI: InChI=1S/C16H16N2O2/c1-18(2)11-12-5-3-4-6-14(12)20-16-13-8-10-19-15(13)7-9-17-16/h3-10H,11H2,1-2H3
• InChIKey: VHOGGQHLHKKVLJ-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: [(2-{furo[3,2-c]pyridin-4-yloxy}phenyl)methyl]dimethylamine
• IUPAC传统名: [(2-{furo[3,2-c]pyridin-4-yloxy}phenyl)methyl]dimethylamine
• 别名: 1-[2-(furo[3,2-c]pyridin-4-yloxy)phenyl]-N,N-dimethylmethanamine

理论计算性质

JChem

• 质子受体: 2
• 质子供体: 0
• LogD (pH = 5.5): 0.29451147
• LogD (pH = 7.4): 2.0685375
• Log P: 2.9508383
• 摩尔折射率: 77.8392 cm^3
• 极化性: 31.222496 Å^3
• 极化表面积: 38.5 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: 2.6
• LOG S: -2.37
• 极化表面积: 38.5 Å^2
• 可自由旋转的化学键: 4