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

• ChemBase编号: 489018
• 分子式: C16H16N2O2
• 平均质量: 268.31044
• 单一同位素质量: 268.12117776
• SMILES: c12c(nccc1occ2)Oc1ccc(CN(C)C)cc1
• Canonical SMILES: CN(Cc1ccc(cc1)Oc1nccc2c1cco2)C
• InChI: InChI=1S/C16H16N2O2/c1-18(2)11-12-3-5-13(6-4-12)20-16-14-8-10-19-15(14)7-9-17-16/h3-10H,11H2,1-2H3
• InChIKey: JGBBCFUUXOGFPY-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: [(4-{furo[3,2-c]pyridin-4-yloxy}phenyl)methyl]dimethylamine
• IUPAC传统名: [(4-{furo[3,2-c]pyridin-4-yloxy}phenyl)methyl]dimethylamine
• 别名: 1-[4-(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): -0.09799994
• LogD (pH = 7.4): 1.5969366
• Log P: 2.9508383
• 摩尔折射率: 77.8392 cm^3
• 极化性: 31.222263 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