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

• ChemBase ID: 260974
• Molecular Formular: C8H11ClFN
• Molecular Mass: 175.6310432
• Monoisotopic Mass: 175.05640526
• SMILES: c1(c(F)cccc1)CNC.Cl
• Canonical SMILES: CNCc1ccccc1F.Cl
• InChI: InChI=1S/C8H10FN.ClH/c1-10-6-7-4-2-3-5-8(7)9;/h2-5,10H,6H2,1H3;1H
• InChIKey: JQNXVSGTERSHPX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [(2-fluorophenyl)methyl](methyl)amine hydrochloride
• IUPAC Traditional name: [(2-fluorophenyl)methyl](methyl)amine hydrochloride
• Synonyms: [(2-fluorophenyl)methyl](methyl)amine hydrochloride

Database IDs

• MDL Number: MFCD07110179
• PubChem SID: 164316884
• PubChem CID: 17293879

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.3339368
• LogD (pH = 7.4): 0.17957732
• Log P: 1.6742966
• Molar Refractivity: 39.5224 cm^3
• Polarizability: 15.180774 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 156 - 158°C
• Hydrophobicity(logP): 1.653

Product Information

• Purity: 95%