[2-(4-fluorophenyl)phenyl]methanamine hydrochloride

• ChemBase ID: 99959
• Molecular Formular: C13H13ClFN
• Molecular Mass: 237.7004232
• Monoisotopic Mass: 237.07205532
• SMILES: Fc1ccc(cc1)c1ccccc1CN.Cl
• Canonical SMILES: NCc1ccccc1c1ccc(cc1)F.Cl
• InChI: InChI=1S/C13H12FN.ClH/c14-12-7-5-10(6-8-12)13-4-2-1-3-11(13)9-15;/h1-8H,9,15H2;1H
• InChIKey: HQPHXUJGWSXSRC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [2-(4-fluorophenyl)phenyl]methanamine hydrochloride
• IUPAC Traditional name: [2-(4-fluorophenyl)phenyl]methanamine hydrochloride
• Synonyms: 1-(4'-Fluorobiphenyl-2-yl)methylamine hydrochloride; 2-(Aminomethyl)-4'-fluorobiphenyl

Database IDs

• MDL Number: MFCD02089421
• PubChem SID: 162086205
• PubChem CID: 17998848

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.11395702
• LogD (pH = 7.4): 0.6815093
• Log P: 2.8889415
• Molar Refractivity: 59.884 cm^3
• Polarizability: 24.344296 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Irritant