{2-[2,5-dimethoxy-4-(trifluoromethyl)phenyl]ethyl}[(2-methoxyphenyl)methyl]amine

• ChemBase ID: 125331
• Molecular Formular: C19H22F3NO3
• Molecular Mass: 369.3780896
• Monoisotopic Mass: 369.15517823
• SMILES: FC(F)(F)c1c(OC)cc(c(OC)c1)CCNCc1ccccc1OC
• Canonical SMILES: COc1cc(c(cc1CCNCc1ccccc1OC)OC)C(F)(F)F
• InChI: InChI=1S/C19H22F3NO3/c1-24-16-7-5-4-6-14(16)12-23-9-8-13-10-18(26-3)15(19(20,21)22)11-17(13)25-2/h4-7,10-11,23H,8-9,12H2,1-3H3
• InChIKey: FBHVTQIAHOTPAM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: {2-[2,5-dimethoxy-4-(trifluoromethyl)phenyl]ethyl}[(2-methoxyphenyl)methyl]amine
• IUPAC Traditional name: 2C-tfm-nbome
• Synonyms: 2C-TFM-NBOMe

Database IDs

• CAS Number: 1027161-33-6
• PubChem SID: 162219681
• PubChem CID: 10067667
• Chemspider ID: 8243207
• Wikipedia Title: 2C-TFM-NBOMe

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.87324697
• LogD (pH = 7.4): 2.2774532
• Log P: 3.9495637
• Molar Refractivity: 94.0369 cm^3
• Polarizability: 35.46828 Å^3
• Polar Surface Area: 39.72 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: true