1-(7-methoxy-2H-1,3-benzodioxol-5-yl)propan-2-amine

• ChemBase编号: 1249
• 分子式: C11H15NO3
• 平均质量: 209.2417
• 单一同位素质量: 209.10519335
• SMILES: O1c2cc(CC(N)C)cc(OC)c2OC1
• Canonical SMILES: COc1cc(CC(N)C)cc2c1OCO2
• InChI: InChI=1S/C11H15NO3/c1-7(12)3-8-4-9(13-2)11-10(5-8)14-6-15-11/h4-5,7H,3,6,12H2,1-2H3
• InChIKey: YQYUWUKDEVZFDB-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 1-(7-methoxy-2H-1,3-benzodioxol-5-yl)propan-2-amine
• IUPAC传统名: mmda (drug); MMDA
• 别名: (+-)-mmda; 3-METHOXY-METHYLENEDIOXYAMPHETAMINE; 3-Methoxy-4,5-methylenedioxyphenylisopropylamine; 3-Methoxy-alpha-methyl-4,5-methylenedioxyphenethylamine; Amphetamine, 3,4-methylenedioxy-5-methoxy; 5-Methoxy-3,4-methylenedioxyamphetamine; DEA No. 7401; MMDA; MMDA (drug)

登记号

• CAS号: 13674-05-0
• PubChem SID: 160964709; 46506802
• PubChem CID: 26175
• Chemspider ID: 24386
• 维基百科标题: MMDA_(drug)

理论计算性质

JChem

• 质子受体: 4
• 质子供体: 1
• LogD (pH = 5.5): -1.7484035
• LogD (pH = 7.4): -1.1874633
• Log P: 1.2698127
• 摩尔折射率: 55.9353 cm^3
• 极化性: 22.289127 Å^3
• 极化表面积: 53.71 Å^2
• 可自由旋转的化学键: 3
• 里宾斯基五规则: true

ALOGPS 2.1

• Log P: 1.07
• LOG S: -1.89
• 溶解度: 2.71e+00 g/l

分子性质

药理学性质

• 给药途径: Oral, Insufflation, Rectal
• 法定药品分级: Schedule I (US)

详细说明

DrugBank - DB01442

• Drug Groups: illicit; experimental
• Description: MMDA, or 3-methoxy-4,5-methylenedioxyamphetamine, is a stimulant and psychedelic drug of the amphetamine class. It also acts as an entheogen and an entactogen. MMDA bears resemblance to the psychopharmacologically active essential oils elemicin and myristicin found in nutmeg. The effects of MMDA includes feelings of euphoria and warmth, as well as realistic closed-eye visuals.
• Indication: MMDA is a recreational drug. It has no current medical uses and is a Schedule I controlled substance in the USA at present.
• Affected Organisms: Humans and other mammals
• External Links: Wikipedia