({3-methoxy-2-[(2-methylprop-2-en-1-yl)oxy]phenyl}methyl)(methyl)[2-(morpholin-4-yl)propyl]amine

• ChemBase编号: 414630
• 分子式: C20H32N2O3
• 平均质量: 348.47968
• 单一同位素质量: 348.24129289
• SMILES: c1(c(OCC(=C)C)c(OC)ccc1)CN(CC(N1CCOCC1)C)C
• Canonical SMILES: COc1cccc(c1OCC(=C)C)CN(CC(N1CCOCC1)C)C
• InChI: InChI=1S/C20H32N2O3/c1-16(2)15-25-20-18(7-6-8-19(20)23-5)14-21(4)13-17(3)22-9-11-24-12-10-22/h6-8,17H,1,9-15H2,2-5H3
• InChIKey: UUIYUQGZEVXADX-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: ({3-methoxy-2-[(2-methylprop-2-en-1-yl)oxy]phenyl}methyl)(methyl)[2-(morpholin-4-yl)propyl]amine
• IUPAC传统名: ({3-methoxy-2-[(2-methylprop-2-en-1-yl)oxy]phenyl}methyl)(methyl)[2-(morpholin-4-yl)propyl]amine
• 别名: N-{3-methoxy-2-[(2-methylprop-2-en-1-yl)oxy]benzyl}-N-methyl-2-morpholin-4-ylpropan-1-amine

理论计算性质

JChem

• 质子受体: 5
• 质子供体: 0
• LogD (pH = 5.5): 0.05771252
• LogD (pH = 7.4): 1.842184
• Log P: 2.7906303
• 摩尔折射率: 102.4842 cm^3
• 极化性: 40.239986 Å^3
• 极化表面积: 34.17 Å^2
• 可自由旋转的化学键: 9
• 里宾斯基五规则: true

Provided by Chembridge

• 质子受体: 5
• 质子供体: 0
• Log P: 3.55
• LOG S: -3.77
• 极化表面积: 34.17 Å^2
• 可自由旋转的化学键: 9