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

• ChemBase编号: 426957
• 分子式: C19H31N3O4
• 平均质量: 365.46714
• 单一同位素质量: 365.23145649
• SMILES: c1(c(CNCC2OCCNC2)cccc1OC)OCCN1CCOCC1
• Canonical SMILES: COc1cccc(c1OCCN1CCOCC1)CNCC1CNCCO1
• InChI: InChI=1S/C19H31N3O4/c1-23-18-4-2-3-16(13-21-15-17-14-20-5-9-25-17)19(18)26-12-8-22-6-10-24-11-7-22/h2-4,17,20-21H,5-15H2,1H3
• InChIKey: PMHAZVQPCDHVHE-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: ({3-methoxy-2-[2-(morpholin-4-yl)ethoxy]phenyl}methyl)(morpholin-2-ylmethyl)amine
• IUPAC传统名: ({3-methoxy-2-[2-(morpholin-4-yl)ethoxy]phenyl}methyl)(morpholin-2-ylmethyl)amine
• 别名: 1-[3-methoxy-2-(2-morpholin-4-ylethoxy)phenyl]-N-(morpholin-2-ylmethyl)methanamine

理论计算性质

JChem

• 质子受体: 7
• 质子供体: 2
• LogD (pH = 5.5): -4.4995904
• LogD (pH = 7.4): -1.0652504
• Log P: 0.4932594
• 摩尔折射率: 100.7951 cm^3
• 极化性: 40.128593 Å^3
• 极化表面积: 64.22 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: 7
• 质子供体: 2
• Log P: 0.97
• LOG S: -1.68
• 极化表面积: 64.22 Å^2
• 可自由旋转的化学键: 9