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

• ChemBase ID: 128229
• Molecular Formular: C11H15NO3
• Molecular Mass: 209.2417
• Monoisotopic Mass: 209.10519335
• SMILES: CC(NOC)Cc1ccc2OCOc2c1
• Canonical SMILES: CONC(Cc1ccc2c(c1)OCO2)C
• InChI: InChI=1S/C11H15NO3/c1-8(12-13-2)5-9-3-4-10-11(6-9)15-7-14-10/h3-4,6,8,12H,5,7H2,1-2H3
• InChIKey: MTIKJUJMCMDSGM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [1-(2H-1,3-benzodioxol-5-yl)propan-2-yl](methoxy)amine
• IUPAC Traditional name: mdmeo
• Synonyms: MDMEO; Methylenedioxymethoxyamphetamine

Database IDs

• CAS Number: 74698-48-9
• PubChem SID: 162222538
• PubChem CID: 44719583
• Chemspider ID: 21106333
• Wikipedia Title: Methylenedioxymethoxyamphetamine; MDMEO

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 1.770526
• LogD (pH = 7.4): 1.911946
• Log P: 1.9140832
• Molar Refractivity: 66.2118 cm^3
• Polarizability: 22.303125 Å^3
• Polar Surface Area: 39.72 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true