dimethyl({2-[2-(quinolin-8-yl)phenoxy]ethyl})amine

• ChemBase编号: 578381
• 分子式: C19H20N2O
• 平均质量: 292.3749
• 单一同位素质量: 292.15756327
• SMILES: c1(c2ncccc2ccc1)c1c(OCCN(C)C)cccc1
• Canonical SMILES: CN(CCOc1ccccc1c1cccc2c1nccc2)C
• InChI: InChI=1S/C19H20N2O/c1-21(2)13-14-22-18-11-4-3-9-16(18)17-10-5-7-15-8-6-12-20-19(15)17/h3-12H,13-14H2,1-2H3
• InChIKey: UEUNJHLELOIMTK-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: dimethyl({2-[2-(quinolin-8-yl)phenoxy]ethyl})amine
• IUPAC传统名: dimethyl({2-[2-(quinolin-8-yl)phenoxy]ethyl})amine
• 别名: N,N-dimethyl-2-(2-quinolin-8-ylphenoxy)ethanamine

理论计算性质

JChem

• 质子受体: 3
• 质子供体: 0
• LogD (pH = 5.5): 0.580508
• LogD (pH = 7.4): 2.2842586
• Log P: 3.6390991
• 摩尔折射率: 89.5978 cm^3
• 极化性: 37.668697 Å^3
• 极化表面积: 25.36 Å^2
• 可自由旋转的化学键: 5
• 里宾斯基五规则: true

Provided by Chembridge

• 质子受体: 3
• 质子供体: 0
• Log P: 2.6
• LOG S: -2.54
• 极化表面积: 25.36 Å^2
• 可自由旋转的化学键: 5