[(2-chlorophenyl)methyl]dimethylamine

• ChemBase ID: 241549
• Molecular Formular: C9H12ClN
• Molecular Mass: 169.65128
• Monoisotopic Mass: 169.06582707
• SMILES: c1(CN(C)C)c(Cl)cccc1
• Canonical SMILES: CN(Cc1ccccc1Cl)C
• InChI: InChI=1S/C9H12ClN/c1-11(2)7-8-5-3-4-6-9(8)10/h3-6H,7H2,1-2H3
• InChIKey: MZKKJAOOPDDXQQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [(2-chlorophenyl)methyl]dimethylamine
• IUPAC Traditional name: [(2-chlorophenyl)methyl]dimethylamine
• Synonyms: [(2-chlorophenyl)methyl]dimethylamine

Database IDs

• MDL Number: MFCD04037302
• PubChem SID: 164297459
• PubChem CID: 818014

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 0.4241273
• LogD (pH = 7.4): 2.1012871
• Log P: 2.5186872
• Molar Refractivity: 49.4055 cm^3
• Polarizability: 19.243914 Å^3
• Polar Surface Area: 3.24 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.689

Product Information

• Purity: 95%