({6-chloro-2-methylimidazo[1,2-a]pyridin-3-yl}methyl)[(2-fluorophenyl)methyl](2-methoxyethyl)amine

• ChemBase编号: 482928
• 分子式: C19H21ClFN3O
• 平均质量: 361.8409432
• 单一同位素质量: 361.13571821
• SMILES: n12c(c(nc1ccc(c2)Cl)C)CN(Cc1c(F)cccc1)CCOC
• Canonical SMILES: COCCN(Cc1c(C)nc2n1cc(Cl)cc2)Cc1ccccc1F
• InChI: InChI=1S/C19H21ClFN3O/c1-14-18(24-12-16(20)7-8-19(24)22-14)13-23(9-10-25-2)11-15-5-3-4-6-17(15)21/h3-8,12H,9-11,13H2,1-2H3
• InChIKey: DBZYIKULDMHJER-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: ({6-chloro-2-methylimidazo[1,2-a]pyridin-3-yl}methyl)[(2-fluorophenyl)methyl](2-methoxyethyl)amine
• IUPAC传统名: ({6-chloro-2-methylimidazo[1,2-a]pyridin-3-yl}methyl)[(2-fluorophenyl)methyl](2-methoxyethyl)amine
• 别名: N-[(6-chloro-2-methylimidazo[1,2-a]pyridin-3-yl)methyl]-N-(2-fluorobenzyl)-2-methoxyethanamine

理论计算性质

JChem

• 质子受体: 3
• 质子供体: 0
• LogD (pH = 5.5): 1.5804622
• LogD (pH = 7.4): 3.0466385
• Log P: 3.1765616
• 摩尔折射率: 99.6254 cm^3
• 极化性: 37.603996 Å^3
• 极化表面积: 29.77 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: 3
• 质子供体: 0
• Log P: 3.95
• LOG S: -4.2
• 极化表面积: 29.77 Å^2
• 可自由旋转的化学键: 7