2-ethyl-4-({4-methoxy-3-[2-(morpholin-4-yl)ethoxy]phenyl}methyl)morpholine

• ChemBase编号: 569120
• 分子式: C20H32N2O4
• 平均质量: 364.47908
• 单一同位素质量: 364.23620751
• SMILES: N1(Cc2cc(c(cc2)OC)OCCN2CCOCC2)CC(OCC1)CC
• Canonical SMILES: CCC1OCCN(C1)Cc1ccc(c(c1)OCCN1CCOCC1)OC
• InChI: InChI=1S/C20H32N2O4/c1-3-18-16-22(9-12-25-18)15-17-4-5-19(23-2)20(14-17)26-13-8-21-6-10-24-11-7-21/h4-5,14,18H,3,6-13,15-16H2,1-2H3
• InChIKey: HEYISJVPHILDMS-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2-ethyl-4-({4-methoxy-3-[2-(morpholin-4-yl)ethoxy]phenyl}methyl)morpholine
• IUPAC传统名: 2-ethyl-4-({4-methoxy-3-[2-(morpholin-4-yl)ethoxy]phenyl}methyl)morpholine
• 别名: 2-ethyl-4-[4-methoxy-3-(2-morpholin-4-ylethoxy)benzyl]morpholine

理论计算性质

JChem

• 质子受体: 6
• 质子供体: 0
• LogD (pH = 5.5): 0.0210023
• LogD (pH = 7.4): 2.004368
• Log P: 2.1200411
• 摩尔折射率: 102.638 cm^3
• 极化性: 40.44046 Å^3
• 极化表面积: 43.4 Å^2
• 可自由旋转的化学键: 8
• 里宾斯基五规则: true

Provided by Chembridge

• 质子受体: 6
• 质子供体: 0
• Log P: 1.29
• LOG S: -1.95
• 极化表面积: 43.4 Å^2
• 可自由旋转的化学键: 8