[(2-bromophenyl)(phenyl)methyl](methyl)amine

• ChemBase ID: 232953
• Molecular Formular: C14H14BrN
• Molecular Mass: 276.17166
• Monoisotopic Mass: 275.03096145
• SMILES: c1(C(c2ccccc2)NC)c(Br)cccc1
• Canonical SMILES: CNC(c1ccccc1Br)c1ccccc1
• InChI: InChI=1S/C14H14BrN/c1-16-14(11-7-3-2-4-8-11)12-9-5-6-10-13(12)15/h2-10,14,16H,1H3
• InChIKey: HUUOWYZTEOSVSA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [(2-bromophenyl)(phenyl)methyl](methyl)amine
• IUPAC Traditional name: [(2-bromophenyl)(phenyl)methyl](methyl)amine
• Synonyms: N-[(2-bromophenyl)(phenyl)methyl]-N-methylamine

Database IDs

• MDL Number: MFCD06660686
• PubChem SID: 164288863
• PubChem CID: 3857671

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 1.5515258
• LogD (pH = 7.4): 3.2849205
• Log P: 4.0845876
• Molar Refractivity: 71.2116 cm^3
• Polarizability: 27.779741 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95%