[(4-fluorophenyl)methyl](methyl)amine hydrochloride

• ChemBase ID: 257906
• Molecular Formular: C8H11ClFN
• Molecular Mass: 175.6310432
• Monoisotopic Mass: 175.05640526
• SMILES: c1(F)ccc(cc1)CNC.Cl
• Canonical SMILES: CNCc1ccc(cc1)F.Cl
• InChI: InChI=1S/C8H10FN.ClH/c1-10-6-7-2-4-8(9)5-3-7;/h2-5,10H,6H2,1H3;1H
• InChIKey: COVGVSDDHGBOBV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [(4-fluorophenyl)methyl](methyl)amine hydrochloride
• IUPAC Traditional name: [(4-fluorophenyl)methyl](methyl)amine hydrochloride
• Synonyms: N-(4-fluorobenzyl)-N-methylamine hydrochloride

Database IDs

• CAS Number: 459-20-1
• MDL Number: MFCD07106763
• PubChem SID: 164313816
• PubChem CID: 12689752

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.4949661
• LogD (pH = 7.4): -0.3810648
• Log P: 1.6742966
• Molar Refractivity: 39.5224 cm^3
• Polarizability: 15.180922 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.653

Product Information

• Purity: 95%