4-[(5-ethylfuran-2-yl)methyl]-2-[(4-methoxyphenyl)methyl]morpholine

• ChemBase编号: 518787
• 分子式: C19H25NO3
• 平均质量: 315.4067
• 单一同位素质量: 315.18344367
• SMILES: c1(oc(cc1)CC)CN1CC(OCC1)Cc1ccc(cc1)OC
• Canonical SMILES: CCc1ccc(o1)CN1CCOC(C1)Cc1ccc(cc1)OC
• InChI: InChI=1S/C19H25NO3/c1-3-16-8-9-18(23-16)13-20-10-11-22-19(14-20)12-15-4-6-17(21-2)7-5-15/h4-9,19H,3,10-14H2,1-2H3
• InChIKey: WYLZRIMKYFWXNO-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 4-[(5-ethylfuran-2-yl)methyl]-2-[(4-methoxyphenyl)methyl]morpholine
• IUPAC传统名: 4-[(5-ethylfuran-2-yl)methyl]-2-[(4-methoxyphenyl)methyl]morpholine
• 别名: 4-[(5-ethyl-2-furyl)methyl]-2-(4-methoxybenzyl)morpholine

理论计算性质

JChem

• 质子受体: 3
• 质子供体: 0
• LogD (pH = 5.5): 1.9694237
• LogD (pH = 7.4): 3.2716827
• Log P: 3.3937025
• 摩尔折射率: 91.2408 cm^3
• 极化性: 35.36681 Å^3
• 极化表面积: 34.84 Å^2
• 可自由旋转的化学键: 6
• 里宾斯基五规则: true

Provided by Chembridge

• 质子受体: 4
• 质子供体: 0
• Log P: 4.1
• LOG S: -2.93
• 极化表面积: 34.84 Å^2
• 可自由旋转的化学键: 4