[(4-bromophenyl)methyl](tert-butyl)amine

• ChemBase ID: 307711
• Molecular Formular: C11H16BrN
• Molecular Mass: 242.15544
• Monoisotopic Mass: 241.04661152
• SMILES: N(C(C)(C)C)Cc1ccc(Br)cc1
• Canonical SMILES: CC(NCc1ccc(cc1)Br)(C)C
• InChI: InChI=1S/C11H16BrN/c1-11(2,3)13-8-9-4-6-10(12)7-5-9/h4-7,13H,8H2,1-3H3
• InChIKey: GCAXLMOUEUKSNT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [(4-bromophenyl)methyl](tert-butyl)amine
• IUPAC Traditional name: [(4-bromophenyl)methyl](tert-butyl)amine
• Synonyms: (4-bromobenzyl)tert-butylamine

Database IDs

• CAS Number: 87384-76-7
• MDL Number: MFCD07409423

CALCULATED PROPERTIES

• LogD (pH = 7.4): 0.975467
• Log P: 3.354307
• Molar Refractivity: 60.7344 cm^3
• Polarizability: 23.737911 Å^3
• Polar Surface Area: 12.03 Å^2
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 0.14553459