1-[2,5-dimethoxy-4-(trifluoromethyl)phenyl]propan-2-amine

• ChemBase ID: 125234
• Molecular Formular: C12H16F3NO2
• Molecular Mass: 263.2561496
• Monoisotopic Mass: 263.11331342
• SMILES: FC(F)(F)c1cc(OC)c(cc1OC)CC(N)C
• Canonical SMILES: COc1cc(c(cc1CC(N)C)OC)C(F)(F)F
• InChI: InChI=1S/C12H16F3NO2/c1-7(16)4-8-5-11(18-3)9(12(13,14)15)6-10(8)17-2/h5-7H,4,16H2,1-3H3
• InChIKey: WPGOTSORDNBMHP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-[2,5-dimethoxy-4-(trifluoromethyl)phenyl]propan-2-amine
• IUPAC Traditional name: 1-[2,5-dimethoxy-4-(trifluoromethyl)phenyl]propan-2-amine
• Synonyms: 2,5-dimethoxy-4-trifluoromethylamphetamine; 2,5-Dimethoxy-4-trifluoromethylamphetamine

Database IDs

• CAS Number: 159277-07-3
• PubChem SID: 162219584
• PubChem CID: 10400521
• CHEMBL: 6620
• Chemspider ID: 8575959
• Wikipedia Title: 2,5-Dimethoxy-4-trifluoromethylamphetamine

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.6482769
• LogD (pH = 7.4): -0.02618095
• Log P: 2.3667564
• Molar Refractivity: 62.6053 cm^3
• Polarizability: 23.463053 Å^3
• Polar Surface Area: 44.48 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Pharmacology Properties

• Legal Status: Uncontrolled