(2-fluoro-5-phenylphenyl)methanamine hydrochloride

• ChemBase ID: 19481
• Molecular Formular: C13H13ClFN
• Molecular Mass: 237.7004232
• Monoisotopic Mass: 237.07205532
• SMILES: c1(cc(ccc1F)c1ccccc1)CN.Cl
• Canonical SMILES: NCc1cc(ccc1F)c1ccccc1.Cl
• InChI: InChI=1S/C13H12FN.ClH/c14-13-7-6-11(8-12(13)9-15)10-4-2-1-3-5-10;/h1-8H,9,15H2;1H
• InChIKey: AKPIXMJBSOJSQH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD11100473
• PubChem SID: 160982788
• PubChem CID: 46735553

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.007039318
• LogD (pH = 7.4): 1.328854
• Log P: 2.8889415
• Molar Refractivity: 59.884 cm^3
• Polarizability: 24.343288 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false