4-{[4-(cyclopentyloxy)phenyl]methyl}-2-(2-methoxyethyl)morpholine

• ChemBase编号: 359002
• 分子式: C19H29NO3
• 平均质量: 319.43846
• 单一同位素质量: 319.21474379
• SMILES: N1(Cc2ccc(OC3CCCC3)cc2)CC(OCC1)CCOC
• Canonical SMILES: COCCC1OCCN(C1)Cc1ccc(cc1)OC1CCCC1
• InChI: InChI=1S/C19H29NO3/c1-21-12-10-19-15-20(11-13-22-19)14-16-6-8-18(9-7-16)23-17-4-2-3-5-17/h6-9,17,19H,2-5,10-15H2,1H3
• InChIKey: RUMFZLYHRIKYTG-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 4-{[4-(cyclopentyloxy)phenyl]methyl}-2-(2-methoxyethyl)morpholine
• IUPAC传统名: 4-{[4-(cyclopentyloxy)phenyl]methyl}-2-(2-methoxyethyl)morpholine
• 别名: 4-[4-(cyclopentyloxy)benzyl]-2-(2-methoxyethyl)morpholine

理论计算性质

JChem

• 质子受体: 4
• 质子供体: 0
• LogD (pH = 5.5): 1.5180643
• LogD (pH = 7.4): 2.837728
• Log P: 2.965924
• 摩尔折射率: 92.1307 cm^3
• 极化性: 36.39409 Å^3
• 极化表面积: 30.93 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: 4
• 质子供体: 0
• Log P: 2.71
• LOG S: -2.84
• 极化表面积: 30.93 Å^2
• 可自由旋转的化学键: 7