[(3,5-dichlorophenyl)methyl](methyl)amine

• ChemBase ID: 259972
• Molecular Formular: C8H9Cl2N
• Molecular Mass: 190.06976
• Monoisotopic Mass: 189.01120465
• SMILES: c1c(cc(cc1Cl)CNC)Cl
• Canonical SMILES: CNCc1cc(Cl)cc(c1)Cl
• InChI: InChI=1S/C8H9Cl2N/c1-11-5-6-2-7(9)4-8(10)3-6/h2-4,11H,5H2,1H3
• InChIKey: SSTJQZMMDIIKBR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [(3,5-dichlorophenyl)methyl](methyl)amine
• IUPAC Traditional name: [(3,5-dichlorophenyl)methyl](methyl)amine
• Synonyms: [(3,5-dichlorophenyl)methyl](methyl)amine

Database IDs

• MDL Number: MFCD00196813
• PubChem SID: 164315882
• PubChem CID: 146163

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.40024874
• LogD (pH = 7.4): 0.83614916
• Log P: 2.739684
• Molar Refractivity: 48.9156 cm^3
• Polarizability: 19.272123 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.936

Product Information

• Purity: 95%