2-(2-bromophenyl)propan-2-amine

• ChemBase ID: 243842
• Molecular Formular: C9H12BrN
• Molecular Mass: 214.10228
• Monoisotopic Mass: 213.01531139
• SMILES: c1(C(N)(C)C)c(Br)cccc1
• Canonical SMILES: Brc1ccccc1C(N)(C)C
• InChI: InChI=1S/C9H12BrN/c1-9(2,11)7-5-3-4-6-8(7)10/h3-6H,11H2,1-2H3
• InChIKey: CKAXYTZRQQIOAL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2-bromophenyl)propan-2-amine
• IUPAC Traditional name: 2-(2-bromophenyl)propan-2-amine
• Synonyms: 2-(2-bromophenyl)propan-2-amine; 1-(2-Bromophenyl)-1-methylethylamine

Database IDs

• CAS Number: 173026-23-8
• MDL Number: MFCD11109721
• PubChem SID: 164299752
• PubChem CID: 11195239

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.4423177
• LogD (pH = 7.4): 0.2993908
• Log P: 2.5649185
• Molar Refractivity: 51.2112 cm^3
• Polarizability: 20.077837 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.665

Product Information

• Purity: 95%; 98%