1-(6-methyl-2H-1,3-benzodioxol-5-yl)propan-2-amine

• ChemBase ID: 125519
• Molecular Formular: C11H15NO2
• Molecular Mass: 193.2423
• Monoisotopic Mass: 193.11027873
• SMILES: O1c2cc(c(cc2OC1)CC(N)C)C
• Canonical SMILES: CC(Cc1cc2OCOc2cc1C)N
• InChI: InChI=1S/C11H15NO2/c1-7-3-10-11(14-6-13-10)5-9(7)4-8(2)12/h3,5,8H,4,6,12H2,1-2H3
• InChIKey: HCFHWXDIZOAUTQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(6-methyl-2H-1,3-benzodioxol-5-yl)propan-2-amine
• IUPAC Traditional name: 6-methyl-mda
• Synonyms: 6-Methyl-MDA

Database IDs

• PubChem SID: 162219869
• PubChem CID: 10511982
• CHEMBL: 6376
• Chemspider ID: 8687383
• Wikipedia Title: 6-Methyl-MDA

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.0783587
• LogD (pH = 7.4): -0.5397191
• Log P: 1.9409053
• Molar Refractivity: 54.5133 cm^3
• Polarizability: 21.525427 Å^3
• Polar Surface Area: 44.48 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Pharmacology Properties

• Admin Routes: Oral
• Legal Status: Uncontrolled (but may be covered under the Federal Analogue Act in the United States and under similar bills in other countries)