[(2-chloro-4-fluorophenyl)methyl](2-methoxyethyl)amine

• ChemBase ID: 271817
• Molecular Formular: C10H13ClFNO
• Molecular Mass: 217.6677232
• Monoisotopic Mass: 217.06696994
• SMILES: c1(c(ccc(c1)F)CNCCOC)Cl
• Canonical SMILES: COCCNCc1ccc(cc1Cl)F
• InChI: InChI=1S/C10H13ClFNO/c1-14-5-4-13-7-8-2-3-9(12)6-10(8)11/h2-3,6,13H,4-5,7H2,1H3
• InChIKey: YMEFKBDUUQITEK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD11150172
• PubChem SID: 164327727
• PubChem CID: 28565548

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.3493211
• LogD (pH = 7.4): 1.3807094
• Log P: 2.2313657
• Molar Refractivity: 55.3707 cm^3
• Polarizability: 21.475187 Å^3
• Polar Surface Area: 21.26 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.537

Product Information

• Purity: 95%