[(2-chloro-4-fluorophenyl)(phenyl)methyl](methyl)amine hydrochloride

• ChemBase ID: 272163
• Molecular Formular: C14H14Cl2FN
• Molecular Mass: 286.1720632
• Monoisotopic Mass: 285.04873303
• SMILES: c1(c(cc(cc1)F)Cl)C(c1ccccc1)NC.Cl
• Canonical SMILES: CNC(c1ccc(cc1Cl)F)c1ccccc1.Cl
• InChI: InChI=1S/C14H13ClFN.ClH/c1-17-14(10-5-3-2-4-6-10)12-8-7-11(16)9-13(12)15;/h2-9,14,17H,1H3;1H
• InChIKey: SUIMGUOSYAWMMH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [(2-chloro-4-fluorophenyl)(phenyl)methyl](methyl)amine hydrochloride
• IUPAC Traditional name: [(2-chloro-4-fluorophenyl)(phenyl)methyl](methyl)amine hydrochloride
• Synonyms: [(2-chloro-4-fluorophenyl)(phenyl)methyl](methyl)amine hydrochloride

Database IDs

• MDL Number: MFCD18089518
• PubChem SID: 164328073
• PubChem CID: 50988514

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 1.495563
• LogD (pH = 7.4): 3.2268133
• Log P: 4.0625815
• Molar Refractivity: 68.61 cm^3
• Polarizability: 26.642881 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 218 - 220°C
• Hydrophobicity(logP): 3.714

Product Information

• Purity: 95%