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

• ChemBase ID: 128423
• Molecular Formular: C11H15NO3
• Molecular Mass: 209.2417
• Monoisotopic Mass: 209.10519335
• SMILES: O1c2cc(c(OC)cc2OC1)CC(N)C
• Canonical SMILES: COc1cc2OCOc2cc1CC(N)C
• InChI: InChI=1S/C11H15NO3/c1-7(12)3-8-4-10-11(15-6-14-10)5-9(8)13-2/h4-5,7H,3,6,12H2,1-2H3
• InChIKey: GPVJAXJRAZVITB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(6-methoxy-2H-1,3-benzodioxol-5-yl)propan-2-amine
• IUPAC Traditional name: mmda-2
• Synonyms: MMDA-2

Database IDs

• CAS Number: 23693-18-7
• PubChem SID: 162222730
• PubChem CID: 90966
• Chemspider ID: 82147
• Wikipedia Title: MMDA-2

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -1.7463586
• LogD (pH = 7.4): -1.145093
• Log P: 1.2698127
• Molar Refractivity: 55.9353 cm^3
• Polarizability: 22.287611 Å^3
• Polar Surface Area: 53.71 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Pharmacology Properties

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