1-(4-bromophenyl)-2-methylpropan-2-amine hydrochloride

• ChemBase ID: 269186
• Molecular Formular: C10H15BrClN
• Molecular Mass: 264.5898
• Monoisotopic Mass: 263.00763917
• SMILES: C(Cc1ccc(Br)cc1)(N)(C)C.Cl
• Canonical SMILES: CC(Cc1ccc(cc1)Br)(N)C.Cl
• InChI: InChI=1S/C10H14BrN.ClH/c1-10(2,12)7-8-3-5-9(11)6-4-8;/h3-6H,7,12H2,1-2H3;1H
• InChIKey: SYMDPXUKBNWPQG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(4-bromophenyl)-2-methylpropan-2-amine hydrochloride
• IUPAC Traditional name: 1-(4-bromophenyl)-2-methylpropan-2-amine hydrochloride
• Synonyms: 1-(4-bromophenyl)-2-methylpropan-2-amine hydrochloride

Database IDs

• MDL Number: MFCD01708414
• PubChem SID: 164325096
• PubChem CID: 73838

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.17112991
• LogD (pH = 7.4): 0.22709021
• Log P: 2.8535798
• Molar Refractivity: 55.9662 cm^3
• Polarizability: 21.83533 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.004

Product Information

• Purity: 95%