[2-(2-fluorophenoxy)phenyl]methanamine

• ChemBase ID: 271879
• Molecular Formular: C13H12FNO
• Molecular Mass: 217.2388832
• Monoisotopic Mass: 217.09029223
• SMILES: O(c1c(CN)cccc1)c1c(F)cccc1
• Canonical SMILES: NCc1ccccc1Oc1ccccc1F
• InChI: InChI=1S/C13H12FNO/c14-11-6-2-4-8-13(11)16-12-7-3-1-5-10(12)9-15/h1-8H,9,15H2
• InChIKey: XXDIHNKOCHOMLH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [2-(2-fluorophenoxy)phenyl]methanamine
• IUPAC Traditional name: [2-(2-fluorophenoxy)phenyl]methanamine
• Synonyms: [2-(2-fluorophenoxy)phenyl]methanamine

Database IDs

• MDL Number: MFCD04971086
• PubChem SID: 164327789
• PubChem CID: 40426918

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.19159642
• LogD (pH = 7.4): 1.0327559
• Log P: 2.7420034
• Molar Refractivity: 60.9886 cm^3
• Polarizability: 23.666458 Å^3
• Polar Surface Area: 35.25 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.135

Product Information

• Purity: 95%