(2R)-1-(2,5-dimethoxy-4-methylphenyl)propan-2-amine

• ChemBase ID: 125231
• Molecular Formular: C12H19NO2
• Molecular Mass: 209.28476
• Monoisotopic Mass: 209.14157885
• SMILES: O(c1cc(c(OC)cc1C[C@H](N)C)C)C
• Canonical SMILES: COc1cc(C)c(cc1C[C@H](N)C)OC
• InChI: InChI=1S/C12H19NO2/c1-8-5-12(15-4)10(6-9(2)13)7-11(8)14-3/h5,7,9H,6,13H2,1-4H3/t9-/m1/s1
• InChIKey: NTJQREUGJKIARY-SECBINFHSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2R)-1-(2,5-dimethoxy-4-methylphenyl)propan-2-amine
• IUPAC Traditional name: (2R)-1-(2,5-dimethoxy-4-methylphenyl)propan-2-amine
• Synonyms: 2,5-Dimethoxy-4-methylamphetamine; 2,5-Dimethoxy-4-methylamphetamine

Database IDs

• CAS Number: 15588-95-1
• PubChem SID: 162219581
• PubChem CID: 11735949
• CHEMBL: 317634
• Chemspider ID: 9910656
• Wikipedia Title: 2,5-Dimethoxy-4-methylamphetamine

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.0139972
• LogD (pH = 7.4): -0.41565815
• Log P: 2.0023293
• Molar Refractivity: 61.6728 cm^3
• Polarizability: 24.102198 Å^3
• Polar Surface Area: 44.48 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 61°C