[2-fluoro-5-(2-methylphenyl)phenyl]methanamine

• ChemBase ID: 19483
• Molecular Formular: C14H14FN
• Molecular Mass: 215.2660632
• Monoisotopic Mass: 215.11102767
• SMILES: c1(cc(c(cc1)F)CN)c1c(C)cccc1
• Canonical SMILES: NCc1cc(ccc1F)c1ccccc1C
• InChI: InChI=1S/C14H14FN/c1-10-4-2-3-5-13(10)11-6-7-14(15)12(8-11)9-16/h2-8H,9,16H2,1H3
• InChIKey: GTTIRCQIXAFVJJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [2-fluoro-5-(2-methylphenyl)phenyl]methanamine
• IUPAC Traditional name: [2-fluoro-5-(2-methylphenyl)phenyl]methanamine
• Synonyms: (4-Fluoro-2'-methyl[1,1'-biphenyl]-3-yl)-methanamine

Database IDs

• MDL Number: MFCD08687852
• PubChem SID: 160982790
• PubChem CID: 26189045

CALCULATED PROPERTIES

• LogD (pH = 5.5): 0.5061976
• LogD (pH = 7.4): 1.8416338
• Log P: 3.4023628
• Molar Refractivity: 64.9252 cm^3
• Polarizability: 26.10832 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true
• H Acceptors: 1
• H Donor: 1

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false