[1-(4-iodo-2,5-dimethoxyphenyl)propan-2-yl]dimethylamine

• ChemBase ID: 127788
• Molecular Formular: C13H20INO2
• Molecular Mass: 349.20787
• Monoisotopic Mass: 349.05387689
• SMILES: Ic1cc(OC)c(cc1OC)CC(N(C)C)C
• Canonical SMILES: COc1cc(I)c(cc1CC(N(C)C)C)OC
• InChI: InChI=1S/C13H20INO2/c1-9(15(2)3)6-10-7-13(17-5)11(14)8-12(10)16-4/h7-9H,6H2,1-5H3
• InChIKey: XBCUSBRGRALQID-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [1-(4-iodo-2,5-dimethoxyphenyl)propan-2-yl]dimethylamine
• IUPAC Traditional name: idnna
• Synonyms: 2,5-Dimethoxy-4-iodo-N,N-dimethylamphetamine; 2,5-Dimethoxy-4-iodo-1-ethyl-(alpha-methyl)amine; IDNNA

Database IDs

• CAS Number: 67707-78-2
• PubChem SID: 162222106
• PubChem CID: 135056
• CHEMBL: 11043
• Chemspider ID: 119009
• Wikipedia Title: IDNNA

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -0.038680125
• LogD (pH = 7.4): 1.474748
• Log P: 3.2334807
• Molar Refractivity: 80.0634 cm^3
• Polarizability: 31.09712 Å^3
• Polar Surface Area: 21.7 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true