[(2-chloro-6-fluorophenyl)methyl](methyl)amine hydrochloride

• ChemBase ID: 233125
• Molecular Formular: C8H10Cl2FN
• Molecular Mass: 210.0761032
• Monoisotopic Mass: 209.01743291
• SMILES: c1(c(Cl)cccc1F)CNC.Cl
• Canonical SMILES: CNCc1c(F)cccc1Cl.Cl
• InChI: InChI=1S/C8H9ClFN.ClH/c1-11-5-6-7(9)3-2-4-8(6)10;/h2-4,11H,5H2,1H3;1H
• InChIKey: DMYONNCLZAOOHC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [(2-chloro-6-fluorophenyl)methyl](methyl)amine hydrochloride
• IUPAC Traditional name: [(2-chloro-6-fluorophenyl)methyl](methyl)amine hydrochloride
• Synonyms: N-(2-chloro-6-fluorobenzyl)-N-methylamine hydrochloride

Database IDs

• MDL Number: MFCD07106786
• PubChem SID: 164289035
• PubChem CID: 17290680

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.37127563
• LogD (pH = 7.4): 1.3492146
• Log P: 2.2783413
• Molar Refractivity: 44.3272 cm^3
• Polarizability: 17.083256 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 135 - 137°C
• Hydrophobicity(logP): 2.366

Product Information

• Purity: 95%
• Salt Data: HCl