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

• ChemBase ID: 240176
• Molecular Formular: C11H16BrN
• Molecular Mass: 242.15544
• Monoisotopic Mass: 241.04661152
• SMILES: c1(c(Br)cccc1)CNCC(C)C
• Canonical SMILES: CC(CNCc1ccccc1Br)C
• InChI: InChI=1S/C11H16BrN/c1-9(2)7-13-8-10-5-3-4-6-11(10)12/h3-6,9,13H,7-8H2,1-2H3
• InChIKey: ORZZHXXYUMBVET-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [(2-bromophenyl)methyl](2-methylpropyl)amine
• IUPAC Traditional name: [(2-bromophenyl)methyl](2-methylpropyl)amine
• Synonyms: [(2-bromophenyl)methyl](2-methylpropyl)amine

Database IDs

• MDL Number: MFCD11139786
• PubChem SID: 164296086
• PubChem CID: 28428646

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 0.4793774
• LogD (pH = 7.4): 1.9048625
• Log P: 3.5446506
• Molar Refractivity: 60.673 cm^3
• Polarizability: 23.738775 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.83

Product Information

• Purity: 95%