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

• ChemBase编号: 779313
• 分子式: C19H30N2O3
• 平均质量: 334.4531
• 单一同位素质量: 334.22564283
• SMILES: N1(Cc2ccc(cc2)OCCN2CCOCC2)CC(OCC1)CC
• Canonical SMILES: CCC1OCCN(C1)Cc1ccc(cc1)OCCN1CCOCC1
• InChI: InChI=1S/C19H30N2O3/c1-2-18-16-21(10-14-23-18)15-17-3-5-19(6-4-17)24-13-9-20-7-11-22-12-8-20/h3-6,18H,2,7-16H2,1H3
• InChIKey: RZIFTVAWHGINAD-UHFFFAOYSA-N

名称和登记号

名称

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

理论计算性质

JChem

• 质子受体: 5
• 质子供体: 0
• LogD (pH = 5.5): -0.5857856
• LogD (pH = 7.4): 2.002404
• Log P: 2.2777123
• 摩尔折射率: 96.1748 cm^3
• 极化性: 37.920616 Å^3
• 极化表面积: 34.17 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: 1.47
• LOG S: -1.89
• 极化表面积: 34.17 Å^2
• 可自由旋转的化学键: 7