2-phenyl-2-(quinolin-8-yloxy)ethan-1-amine

• ChemBase编号: 808895
• 分子式: C17H16N2O
• 平均质量: 264.32174
• 单一同位素质量: 264.12626314
• SMILES: NCC(Oc1cccc2c1nccc2)c1ccccc1
• Canonical SMILES: NCC(c1ccccc1)Oc1cccc2c1nccc2
• InChI: InChI=1S/C17H16N2O/c18-12-16(13-6-2-1-3-7-13)20-15-10-4-8-14-9-5-11-19-17(14)15/h1-11,16H,12,18H2
• InChIKey: MMQTXXIPEIOVNV-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2-phenyl-2-(quinolin-8-yloxy)ethan-1-amine
• IUPAC传统名: 2-phenyl-2-(quinolin-8-yloxy)ethanamine
• 别名: 2-PHENYL-2-(QUINOLIN-8-YLOXY)-ETHYLAMINE

理论计算性质

• 质子受体: 3
• 质子供体: 1
• LogD (pH = 5.5): 0.053116467
• LogD (pH = 7.4): 1.3627658
• Log P: 2.9604857
• 摩尔折射率: 78.6751 cm^3
• 极化性: 32.52304 Å^3
• 极化表面积: 48.14 Å^2
• 可自由旋转的化学键: 4
• 里宾斯基五规则: true

分子性质

产品相关信息

• 纯度: 98%