dimethyl(1-{3-[4-(morpholin-4-yl)phenyl]phenyl}ethyl)amine

• ChemBase编号: 861889
• 分子式: C20H26N2O
• 平均质量: 310.43324
• 单一同位素质量: 310.20451346
• SMILES: N1(c2ccc(c3cc(C(N(C)C)C)ccc3)cc2)CCOCC1
• Canonical SMILES: CN(C(c1cccc(c1)c1ccc(cc1)N1CCOCC1)C)C
• InChI: InChI=1S/C20H26N2O/c1-16(21(2)3)18-5-4-6-19(15-18)17-7-9-20(10-8-17)22-11-13-23-14-12-22/h4-10,15-16H,11-14H2,1-3H3
• InChIKey: GBDGVHOWXBCIDR-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: dimethyl(1-{3-[4-(morpholin-4-yl)phenyl]phenyl}ethyl)amine
• IUPAC传统名: dimethyl(1-{3-[4-(morpholin-4-yl)phenyl]phenyl}ethyl)amine
• 别名: N,N-dimethyl-1-(4'-morpholin-4-ylbiphenyl-3-yl)ethanamine

理论计算性质

JChem

• 质子受体: 3
• 质子供体: 0
• LogD (pH = 5.5): 0.50813556
• LogD (pH = 7.4): 1.8624398
• Log P: 3.8679864
• 摩尔折射率: 97.6588 cm^3
• 极化性: 38.729797 Å^3
• 极化表面积: 15.71 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: 2
• 质子供体: 0
• Log P: 3.22
• LOG S: -3.21
• 极化表面积: 15.71 Å^2
• 可自由旋转的化学键: 4