4-methyl-5-phenyl-4,5-dihydro-1,3-oxazol-2-amine

• ChemBase编号: 1253
• 分子式: C10H12N2O
• 平均质量: 176.21508
• 单一同位素质量: 176.09496301
• SMILES: O1C(C(N=C1N)C)c1ccccc1
• Canonical SMILES: CC1N=C(OC1c1ccccc1)N
• InChI: InChI=1S/C10H12N2O/c1-7-9(13-10(11)12-7)8-5-3-2-4-6-8/h2-7,9H,1H3,(H2,11,12)
• InChIKey: LJQBMYDFWFGESC-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 4-methyl-5-phenyl-4,5-dihydro-1,3-oxazol-2-amine
• IUPAC传统名: 4-methylaminorex; @4-methylaminorex
• 别名: 4,5-Dihydro-4-methyl-5-phenyl-2-oxazolamine; 2-Amino-4-methyl-5-phenyl-2-oxazoline; McN 822; 4-Methyl Aminorex; 4-Methylaminorex

登记号

• CAS号: 3568-94-3
• PubChem SID: 46508135; 160964713
• PubChem CID: 92196

理论计算性质

JChem

• 质子受体: 3
• 质子供体: 1
• LogD (pH = 5.5): 0.2132686
• LogD (pH = 7.4): 1.651114
• Log P: 1.8787307
• 摩尔折射率: 50.1669 cm^3
• 极化性: 19.51288 Å^3
• 极化表面积: 47.61 Å^2
• 可自由旋转的化学键: 1
• 里宾斯基五规则: true

ALOGPS 2.1

• Log P: 1.47
• LOG S: -2.58
• 溶解度: 4.68e-01 g/l

详细说明

DrugBank - DB01447

• Drug Groups: illicit; experimental
• References: Bunker CF, Johnson M, Gibb JW, Bush LG, Hanson GR: Neurochemical effects of an acute treatment with 4-methylaminorex: a new stimulant of abuse. Eur J Pharmacol. 1990 May 3;180(1):103-11. [Pubmed] ; Hanson GR, Bunker CF, Johnson M, Bush L, Gibb JW: Response of monoaminergic and neuropeptide systems to 4-methylaminorex: a new stimulant of abuse. Eur J Pharmacol. 1992 Aug 6;218(2-3):287-93. [Pubmed] ; Zheng Y, Russell B, Schmierer D, Laverty R: The effects of aminorex and related compounds on brain monoamines and metabolites in CBA mice. J Pharm Pharmacol. 1997 Jan;49(1):89-96. [Pubmed]
• External Links: Wikipedia

Toronto Research Chemicals - M287225

4-Methylaminorex is a stimulant drug of the 2-amino-5-aryloxazoline class. 4-Methylaminorex has effects similar to Methamphetamine (M258795) but with much longer duration. Studies show that effects of 4-Methylaminorex are stimulant in nature, producing eu

参考文献

• Bunker CF, Johnson M, Gibb JW, Bush LG, Hanson GR: Neurochemical effects of an acute treatment with 4-methylaminorex: a new stimulant of abuse. Eur J Pharmacol. 1990 May 3;180(1):103-11. Pubmed
• Hanson GR, Bunker CF, Johnson M, Bush L, Gibb JW: Response of monoaminergic and neuropeptide systems to 4-methylaminorex: a new stimulant of abuse. Eur J Pharmacol. 1992 Aug 6;218(2-3):287-93. Pubmed
• Zheng Y, Russell B, Schmierer D, Laverty R: The effects of aminorex and related compounds on brain monoamines and metabolites in CBA mice. J Pharm Pharmacol. 1997 Jan;49(1):89-96. Pubmed
• Young, R. et al.: Pharmacol. Biochem. Behav., 42 , 175 (1992)
• Glennon, R.A. et al.: Pharmacol. Biochem. Behav., 35, 517 (1992)
• Kankaanpaa, A. et al.: J. Pharmacol. Exp. Therap., 300, 450 (1992)