4-{3-[3-(2-methoxyphenoxy)azetidin-1-yl]-2,2-dimethylpropyl}morpholine

• ChemBase编号: 775416
• 分子式: C19H30N2O3
• 平均质量: 334.4531
• 单一同位素质量: 334.22564283
• SMILES: N1(CC(CN2CCOCC2)(C)C)CC(Oc2c(OC)cccc2)C1
• Canonical SMILES: COc1ccccc1OC1CN(C1)CC(CN1CCOCC1)(C)C
• InChI: InChI=1S/C19H30N2O3/c1-19(2,14-20-8-10-23-11-9-20)15-21-12-16(13-21)24-18-7-5-4-6-17(18)22-3/h4-7,16H,8-15H2,1-3H3
• InChIKey: RHQYNJAUSBVODC-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 4-{3-[3-(2-methoxyphenoxy)azetidin-1-yl]-2,2-dimethylpropyl}morpholine
• IUPAC传统名: 4-{3-[3-(2-methoxyphenoxy)azetidin-1-yl]-2,2-dimethylpropyl}morpholine
• 别名: 4-{3-[3-(2-methoxyphenoxy)azetidin-1-yl]-2,2-dimethylpropyl}morpholine

理论计算性质

JChem

• 质子受体: 5
• 质子供体: 0
• LogD (pH = 5.5): -0.17804237
• LogD (pH = 7.4): 1.794346
• Log P: 2.3965688
• 摩尔折射率: 95.423 cm^3
• 极化性: 37.91017 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: 2.1
• LOG S: -2.42
• 极化表面积: 34.17 Å^2
• 可自由旋转的化学键: 7