(furan-2-ylmethyl)(2H3)methyl[(2S)-1-phenylpropan-2-yl]amine

• ChemBase编号: 169514
• 分子式: C15H19NO
• 平均质量: 229.31746
• 单一同位素质量: 229.14666423
• SMILES: C([C@@H](N(Cc1occc1)C)C)c1ccccc1
• Canonical SMILES: CN([C@H](Cc1ccccc1)C)Cc1ccco1
• InChI: InChI=1S/C15H19NO/c1-13(11-14-7-4-3-5-8-14)16(2)12-15-9-6-10-17-15/h3-10,13H,11-12H2,1-2H3/t13-/m0/s1
• InChIKey: DLGIIZAHQPTVCJ-ZDUSSCGKSA-N

名称和登记号

名称

• IUPAC标准名: (furan-2-ylmethyl)(^2H₃)methyl[(2S)-1-phenylpropan-2-yl]amine
• IUPAC传统名: (furan-2-ylmethyl)(^2H₃)methyl[(2S)-1-phenylpropan-2-yl]amine
• 别名: (+)-N-(Methyl-d3)-N-(1-methyl-2-phenylethyl)-2-furanmethanamine; (+)-N-(Methyl-d3)-N-(α-methylphenethyl)furfurylamine; Frugalan-d3; d-Furfenorex-d3; d-Furfurylmethylamphetamine-d3; Furfenorex-d3

登记号

• CAS号: 1246815-29-1
• PubChem SID: 162263646
• PubChem CID: 71317014

理论计算性质

• 质子受体: 1
• 质子供体: 0
• LogD (pH = 5.5): 0.18293212
• LogD (pH = 7.4): 1.7560326
• Log P: 3.4045985
• 摩尔折射率: 70.778 cm^3
• 极化性: 27.470463 Å^3
• 极化表面积: 16.38 Å^2
• 可自由旋转的化学键: 5
• 里宾斯基五规则: true

分子性质

理化性质

• 溶解度: Chloroform; Methanol
• 外观: Brown Oil

安全信息

• 保存条件: Hygroscopic, -20°C Freezer, Under Inert Atmosphere

详细说明

Toronto Research Chemicals - F864162

A labelled N-alkylated Amphetamine (A634240) derivative. It shows the same toxicokinetic activity as amphetaminil, benzphetamine, clobenzorex, dimethylamphetamine, ethylamphetamine, famprofazone, fencamine, fenethylline, fenproporex, mefenorex, mesocarb,

参考文献

• Hiramatsu, M., et al.: J. Pharmacol. Exp. Ther., 254, 521 (1990)
• Lin, L., et al.: Drug Metab. Dispos., 25, 1059 (1990)
• Wu, D., et al.: Biochem. Pharmacol., 53, 1605 (1990)