(pyridin-2-ylmethyl)({[3-(trifluoromethyl)phenyl]methyl})amine

• ChemBase ID: 237759
• Molecular Formular: C14H13F3N2
• Molecular Mass: 266.2616296
• Monoisotopic Mass: 266.10308309
• SMILES: C(c1cc(CNCc2ncccc2)ccc1)(F)(F)F
• Canonical SMILES: FC(c1cccc(c1)CNCc1ccccn1)(F)F
• InChI: InChI=1S/C14H13F3N2/c15-14(16,17)12-5-3-4-11(8-12)9-18-10-13-6-1-2-7-19-13/h1-8,18H,9-10H2
• InChIKey: PMSIFDQDPDIBIG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (pyridin-2-ylmethyl)({[3-(trifluoromethyl)phenyl]methyl})amine
• IUPAC Traditional name: (pyridin-2-ylmethyl)({[3-(trifluoromethyl)phenyl]methyl})amine
• Synonyms: (pyridin-2-ylmethyl)({[3-(trifluoromethyl)phenyl]methyl})amine

Database IDs

• MDL Number: MFCD12447218
• PubChem SID: 164293669
• PubChem CID: 28445083

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.7902934
• LogD (pH = 7.4): 2.489817
• Log P: 2.9977157
• Molar Refractivity: 67.2132 cm^3
• Polarizability: 25.209362 Å^3
• Polar Surface Area: 24.92 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.054

Product Information

• Purity: 95%