[1-(2,4-dimethoxyphenyl)ethyl](methyl)amine

• ChemBase编号: 310646
• 分子式: C11H17NO2
• 平均质量: 195.25818
• 单一同位素质量: 195.12592879
• SMILES: c1(c(cc(cc1)OC)OC)C(NC)C
• Canonical SMILES: CNC(c1ccc(cc1OC)OC)C
• InChI: InChI=1S/C11H17NO2/c1-8(12-2)10-6-5-9(13-3)7-11(10)14-4/h5-8,12H,1-4H3
• InChIKey: QOOWQASTOPJHKE-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: [1-(2,4-dimethoxyphenyl)ethyl](methyl)amine
• IUPAC传统名: [1-(2,4-dimethoxyphenyl)ethyl](methyl)amine
• 别名: 1-(2,4-dimethoxyphenyl)-N-methylethanamine

登记号

• CAS号: 188894-37-3
• MDL号: MFCD00558376

理论计算性质

• 质子受体: 3
• 质子供体: 1
• LogD (pH = 5.5): -1.4357476
• LogD (pH = 7.4): -0.016448643
• Log P: 1.6328272
• 摩尔折射率: 56.6512 cm^3
• 极化性: 22.410658 Å^3
• 极化表面积: 30.49 Å^2