(2R)-1-(4-iodo-2,5-dimethoxyphenyl)propan-2-amine

• ChemBase ID: 125230
• Molecular Formular: C11H16INO2
• Molecular Mass: 321.15471
• Monoisotopic Mass: 321.02257676
• SMILES: Ic1cc(OC)c(cc1OC)C[C@@H](C)N
• Canonical SMILES: COc1cc(I)c(cc1C[C@H](N)C)OC
• InChI: InChI=1S/C11H16INO2/c1-7(13)4-8-5-11(15-3)9(12)6-10(8)14-2/h5-7H,4,13H2,1-3H3/t7-/m1/s1
• InChIKey: BGMZUEKZENQUJY-SSDOTTSWSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2R)-1-(4-iodo-2,5-dimethoxyphenyl)propan-2-amine
• IUPAC Traditional name: (2R)-1-(4-iodo-2,5-dimethoxyphenyl)propan-2-amine
• Synonyms: 2,5-Dimethoxy-4-iodoamphetamine

Database IDs

• CAS Number: 42203-78-1
• PubChem SID: 162219580
• PubChem CID: 9840090
• CHEMBL: 6616
• Chemspider ID: 1192
• Wikipedia Title: 2,5-Dimethoxy-4-iodoamphetamine

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.5972032
• LogD (pH = 7.4): 0.024494693
• Log P: 2.4178524
• Molar Refractivity: 69.9941 cm^3
• Polarizability: 27.461819 Å^3
• Polar Surface Area: 44.48 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 201 °C (hydrochloride)