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

• ChemBase编号: 278132
• 分子式: C14H22N2O2
• 平均质量: 250.33668
• 单一同位素质量: 250.16812795
• SMILES: c1(CN2CCOCC2)c(ccc(c1)CNC)OC
• Canonical SMILES: CNCc1ccc(c(c1)CN1CCOCC1)OC
• InChI: InChI=1S/C14H22N2O2/c1-15-10-12-3-4-14(17-2)13(9-12)11-16-5-7-18-8-6-16/h3-4,9,15H,5-8,10-11H2,1-2H3
• InChIKey: XKAKVVMZHNANNO-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: {[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]methyl}(methyl)amine
• IUPAC传统名: {[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]methyl}(methyl)amine
• 别名: {[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]methyl}(methyl)amine

登记号

• MDL号: MFCD06801595
• PubChem SID: 164334042
• PubChem CID: 17216064

理论计算性质

• 质子受体: 4
• 质子供体: 1
• LogD (pH = 5.5): -2.9015892
• LogD (pH = 7.4): -1.04965
• Log P: 1.0968196
• 摩尔折射率: 73.3864 cm^3
• 极化性: 28.74699 Å^3
• 极化表面积: 33.73 Å^2
• 可自由旋转的化学键: 5
• 里宾斯基五规则: true

分子性质

理化性质

• 疏水性(logP): 1.176

产品相关信息

• 纯度: 95%