[4-(difluoromethoxy)phenyl](phenyl)methanamine

• ChemBase ID: 249218
• Molecular Formular: C14H13F2NO
• Molecular Mass: 249.2559264
• Monoisotopic Mass: 249.09652048
• SMILES: C(Oc1ccc(C(c2ccccc2)N)cc1)(F)F
• Canonical SMILES: FC(Oc1ccc(cc1)C(c1ccccc1)N)F
• InChI: InChI=1S/C14H13F2NO/c15-14(16)18-12-8-6-11(7-9-12)13(17)10-4-2-1-3-5-10/h1-9,13-14H,17H2
• InChIKey: SNPZHPCBEJLTAZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [4-(difluoromethoxy)phenyl](phenyl)methanamine
• IUPAC Traditional name: [4-(difluoromethoxy)phenyl](phenyl)methanamine
• Synonyms: [4-(difluoromethoxy)phenyl](phenyl)methylamine

Database IDs

• MDL Number: MFCD06655631
• PubChem SID: 164305128
• PubChem CID: 4962202

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.74110633
• LogD (pH = 7.4): 2.0365677
• Log P: 3.6523414
• Molar Refractivity: 65.2863 cm^3
• Polarizability: 25.191002 Å^3
• Polar Surface Area: 35.25 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.807

Product Information

• Purity: 95%