[2-(5-methoxy-1H-indol-3-yl)(2H4)ethyl]bis(propan-2-yl)amine hydrochloride

• ChemBase编号: 172940
• 分子式: C17H27ClN2O
• 平均质量: 310.86208
• 单一同位素质量: 310.18119117
• SMILES: c1(ccc2c(c1)c(c[nH]2)CCN(C(C)C)C(C)C)OC.Cl
• Canonical SMILES: COc1ccc2c(c1)c(CCN(C(C)C)C(C)C)c[nH]2.Cl
• InChI: InChI=1S/C17H26N2O.ClH/c1-12(2)19(13(3)4)9-8-14-11-18-17-7-6-15(20-5)10-16(14)17;/h6-7,10-13,18H,8-9H2,1-5H3;1H
• InChIKey: QEBJXWFHKCUFLS-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: [2-(5-methoxy-1H-indol-3-yl)(^2H₄)ethyl]bis(propan-2-yl)amine hydrochloride
• IUPAC传统名: diisopropyl[2-(5-methoxy-1H-indol-3-yl)(^2H₄)ethyl]amine hydrochloride
• 别名: “Foxy”-d4; 5-Methoxy-N,N-diisopropyltryptamine-d4 Hydrochloride; 5-Methoxy-N,N-bis(1-methylethyl)-1H-indole-3-ethanamine-d4 Hydrochloride; 3-[2-(Diisopropylamino)ethyl-d4]-5-methoxyindole Hydrochloride; 5-MeO-DIPT-d4

登记号

• PubChem SID: 164228850
• PubChem CID: 71750075

理论计算性质

• Acid pKa: 17.440752
• 质子受体: 2
• 质子供体: 1
• LogD (pH = 5.5): 0.19873744
• LogD (pH = 7.4): 0.6141407
• Log P: 3.6911604
• 摩尔折射率: 85.2402 cm^3
• 极化性: 34.389446 Å^3
• 极化表面积: 28.26 Å^2
• 可自由旋转的化学键: 6
• 里宾斯基五规则: true

详细说明

Toronto Research Chemicals - M262472

A psychoactive tryptamine analog.Controlled substance (hallucinogen).

参考文献

• Meatherall, R., et al.: J. Anal. Toxicol., 27, 313 (2003)
• Wilson, J., et al.: Forensic Sci. Int., 148, 31 (2003)
• Kamata, T., et al.: Drug Metab. Dispos., 34, 281 (2003)