1-(3-bromophenyl)-2-methylpropan-2-amine hydrochloride

• ChemBase ID: 279536
• Molecular Formular: C10H15BrClN
• Molecular Mass: 264.5898
• Monoisotopic Mass: 263.00763917
• SMILES: C(Cc1cc(Br)ccc1)(N)(C)C.Cl
• Canonical SMILES: Brc1cccc(c1)CC(N)(C)C.Cl
• InChI: InChI=1S/C10H14BrN.ClH/c1-10(2,12)7-8-4-3-5-9(11)6-8;/h3-6H,7,12H2,1-2H3;1H
• InChIKey: VDKIAIRXIUNLRH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(3-bromophenyl)-2-methylpropan-2-amine hydrochloride
• IUPAC Traditional name: 1-(3-bromophenyl)-2-methylpropan-2-amine hydrochloride
• Synonyms: 1-(3-bromophenyl)-2-methylpropan-2-amine hydrochloride

Database IDs

• MDL Number: MFCD20441562
• PubChem SID: 164335446
• PubChem CID: 54595319

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.17087075
• LogD (pH = 7.4): 0.23522156
• Log P: 2.8535798
• Molar Refractivity: 55.9662 cm^3
• Polarizability: 21.83546 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 213 - 215°C
• Hydrophobicity(logP): 3.004

Product Information

• Purity: 95%