[(2-bromophenyl)methyl](propan-2-yl)amine

• ChemBase ID: 307876
• Molecular Formular: C10H14BrN
• Molecular Mass: 228.12886
• Monoisotopic Mass: 227.03096145
• SMILES: c1(CNC(C)C)c(Br)cccc1
• Canonical SMILES: CC(NCc1ccccc1Br)C
• InChI: InChI=1S/C10H14BrN/c1-8(2)12-7-9-5-3-4-6-10(9)11/h3-6,8,12H,7H2,1-2H3
• InChIKey: NFLHVGAIJGWPQT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [(2-bromophenyl)methyl](propan-2-yl)amine
• IUPAC Traditional name: [(2-bromophenyl)methyl](isopropyl)amine
• Synonyms: (2-bromobenzyl)isopropylamine

Database IDs

• CAS Number: 90944-51-7
• MDL Number: MFCD08691700

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 0.13529395
• LogD (pH = 7.4): 1.7231015
• Log P: 3.0737302
• Molar Refractivity: 56.0962 cm^3
• Polarizability: 21.907515 Å^3
• Polar Surface Area: 12.03 Å^2