1-(2,5-dimethoxy-4-methylphenyl)propan-2-amine

• ChemBase编号: 1315
• 分子式: C12H19NO2
• 平均质量: 209.28476
• 单一同位素质量: 209.14157885
• SMILES: O(c1c(CC(N)C)cc(OC)c(c1)C)C
• Canonical SMILES: COc1cc(C)c(cc1CC(N)C)OC
• InChI: InChI=1S/C12H19NO2/c1-8-5-12(15-4)10(6-9(2)13)7-11(8)14-3/h5,7,9H,6,13H2,1-4H3
• InChIKey: NTJQREUGJKIARY-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 1-(2,5-dimethoxy-4-methylphenyl)propan-2-amine
• IUPAC传统名: DOM
• 别名: 4-Methyl-2,5-dimethoxyamphetamine

登记号

• CAS号: 15588-95-1
• PubChem SID: 46504804; 160964775
• PubChem CID: 85875

理论计算性质

JChem

• 质子受体: 3
• 质子供体: 1
• LogD (pH = 5.5): -1.0139972
• LogD (pH = 7.4): -0.41565815
• Log P: 2.0023293
• 摩尔折射率: 61.6728 cm^3
• 极化性: 24.102198 Å^3
• 极化表面积: 44.48 Å^2
• 可自由旋转的化学键: 4
• 里宾斯基五规则: true

ALOGPS 2.1

• Log P: 2.02
• LOG S: -2.33
• 溶解度: 9.69e-01 g/l

详细说明

DrugBank - DB01528

• Drug Groups: illicit; experimental
• Description: A psychedelic phenyl isopropylamine derivative, commonly called DOM, whose mood-altering effects and mechanism of action may be similar to those of LSD. [PubChem]