diethyl[2-(1H-indol-3-yl)ethyl]amine

• ChemBase编号: 1259
• 分子式: C14H20N2
• 平均质量: 216.322
• 单一同位素质量: 216.16264865
• SMILES: N(CCc1c2c([nH]c1)cccc2)(CC)CC
• Canonical SMILES: CCN(CCc1c[nH]c2c1cccc2)CC
• InChI: InChI=1S/C14H20N2/c1-3-16(4-2)10-9-12-11-15-14-8-6-5-7-13(12)14/h5-8,11,15H,3-4,9-10H2,1-2H3
• InChIKey: LSSUMOWDTKZHHT-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: diethyl[2-(1H-indol-3-yl)ethyl]amine
• IUPAC传统名: diethyltryptamine
• 别名: DET; 3-(2-Diethylaminoethyl)indole; N,N-Diethyl-2-(1H-indol-3-yl)ethanamine; Diethyltryptamine

登记号

• CAS号: 61-51-8; 7558-72-7
• PubChem SID: 46504638; 160964719
• PubChem CID: 6090
• CHEMBL: 142936
• Chemspider ID: 5865
• DrugBank ID: DB01460
• 维基百科标题: Diethyltryptamine

理论计算性质

JChem

• Acid pKa: 17.164703
• 质子受体: 1
• 质子供体: 1
• LogD (pH = 5.5): -0.45126498
• LogD (pH = 7.4): 0.3918655
• Log P: 3.0156817
• 摩尔折射率: 69.9394 cm^3
• 极化性: 28.15842 Å^3
• 极化表面积: 19.03 Å^2
• 可自由旋转的化学键: 5
• 里宾斯基五规则: true

ALOGPS 2.1

• Log P: 3.64
• LOG S: -2.79
• 溶解度: 3.53e-01 g/l

分子性质

理化性质

• 熔点: 169-171 °C (336.2-339.8°F)

药理学性质

• 法定药品分级: Class A (UK); Schedule I (US)

详细说明

DrugBank - DB01460

• Drug Groups: illicit; experimental
• Description: Diethyltryptamine (DET) is an orally active hallucinogenic drug and psychedelic compound of moderate duration. DET is a substituted tryptamine, structurally similar to DMT and dipropyltryptamine (DPT). [Wikipedia]
• External Links: Wikipedia