(furan-2-ylmethyl)[2-(morpholin-4-yl)ethyl](pyridin-4-ylmethyl)amine

• ChemBase编号: 774627
• 分子式: C17H23N3O2
• 平均质量: 301.38342
• 单一同位素质量: 301.17902699
• SMILES: N1(CCN(Cc2occc2)Cc2ccncc2)CCOCC1
• Canonical SMILES: O1CCN(CC1)CCN(Cc1ccco1)Cc1ccncc1
• InChI: InChI=1S/C17H23N3O2/c1-2-17(22-11-1)15-20(14-16-3-5-18-6-4-16)8-7-19-9-12-21-13-10-19/h1-6,11H,7-10,12-15H2
• InChIKey: LNIHTVGBMQKFRM-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: (furan-2-ylmethyl)[2-(morpholin-4-yl)ethyl](pyridin-4-ylmethyl)amine
• IUPAC传统名: (furan-2-ylmethyl)[2-(morpholin-4-yl)ethyl](pyridin-4-ylmethyl)amine
• 别名: (2-furylmethyl)(2-morpholin-4-ylethyl)(pyridin-4-ylmethyl)amine

理论计算性质

JChem

• 质子受体: 4
• 质子供体: 0
• LogD (pH = 5.5): -0.9094405
• LogD (pH = 7.4): 0.8024575
• Log P: 1.281834
• 摩尔折射率: 86.5409 cm^3
• 极化性: 33.62931 Å^3
• 极化表面积: 41.74 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: 5
• 质子供体: 0
• Log P: 1.73
• LOG S: -0.57
• 极化表面积: 41.74 Å^2
• 可自由旋转的化学键: 7