(4-methoxyphenyl)[4-(trifluoromethyl)phenyl]methanamine hydrochloride

• ChemBase ID: 248230
• Molecular Formular: C15H15ClF3NO
• Molecular Mass: 317.7339096
• Monoisotopic Mass: 317.07942645
• SMILES: C(c1ccc(C(c2ccc(cc2)OC)N)cc1)(F)(F)F.Cl
• Canonical SMILES: COc1ccc(cc1)C(c1ccc(cc1)C(F)(F)F)N.Cl
• InChI: InChI=1S/C15H14F3NO.ClH/c1-20-13-8-4-11(5-9-13)14(19)10-2-6-12(7-3-10)15(16,17)18;/h2-9,14H,19H2,1H3;1H
• InChIKey: OLSYIYVHAZMYFA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (4-methoxyphenyl)[4-(trifluoromethyl)phenyl]methanamine hydrochloride
• IUPAC Traditional name: (4-methoxyphenyl)[4-(trifluoromethyl)phenyl]methanamine hydrochloride
• Synonyms: (4-methoxyphenyl)[4-(trifluoromethyl)phenyl]methanamine hydrochloride

Database IDs

• PubChem SID: 164304140
• PubChem CID: 71758420

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.69904417
• LogD (pH = 7.4): 2.0133452
• Log P: 3.6034317
• Molar Refractivity: 71.2511 cm^3
• Polarizability: 26.780228 Å^3
• Polar Surface Area: 35.25 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 216 - 218°C
• Hydrophobicity(logP): 3.244

Product Information

• Purity: 95%