[4-(4-fluorophenoxy)phenyl]methanamine

• ChemBase ID: 250828
• Molecular Formular: C13H12FNO
• Molecular Mass: 217.2388832
• Monoisotopic Mass: 217.09029223
• SMILES: O(c1ccc(cc1)CN)c1ccc(F)cc1
• Canonical SMILES: NCc1ccc(cc1)Oc1ccc(cc1)F
• InChI: InChI=1S/C13H12FNO/c14-11-3-7-13(8-4-11)16-12-5-1-10(9-15)2-6-12/h1-8H,9,15H2
• InChIKey: ZQTJTARQSZTPGD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [4-(4-fluorophenoxy)phenyl]methanamine
• IUPAC Traditional name: [4-(4-fluorophenoxy)phenyl]methanamine
• Synonyms: 1-[4-(4-fluorophenoxy)phenyl]methanamine

Database IDs

• MDL Number: MFCD04971078
• PubChem SID: 164306738
• PubChem CID: 3860377

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.24379894
• LogD (pH = 7.4): 0.711787
• Log P: 2.7420034
• Molar Refractivity: 60.9886 cm^3
• Polarizability: 23.666092 Å^3
• Polar Surface Area: 35.25 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.335

Product Information

• Purity: 95%