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

• ChemBase ID: 128349
• Molecular Formular: C12H17NO3
• Molecular Mass: 223.26828
• Monoisotopic Mass: 223.12084341
• SMILES: CC(Cc1cc2c(cc1OC)OCO2)NC
• Canonical SMILES: CNC(Cc1cc2OCOc2cc1OC)C
• InChI: InChI=1S/C12H17NO3/c1-8(13-2)4-9-5-11-12(16-7-15-11)6-10(9)14-3/h5-6,8,13H,4,7H2,1-3H3
• InChIKey: GBUNHVOIGFKQDT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: ?
• PubChem SID: 162222657
• PubChem CID: ?; 44719597
• Chemspider ID: 23553107
• Wikipedia Title: Methyl-MMDA-2

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -1.5148368
• LogD (pH = 7.4): -0.78726995
• Log P: 1.702393
• Molar Refractivity: 60.7099 cm^3
• Polarizability: 24.125801 Å^3
• Polar Surface Area: 39.72 Å^2
• Rotatable Bonds: 4
• 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)