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

• ChemBase ID: 241339
• Molecular Formular: C10H14BrN
• Molecular Mass: 228.12886
• Monoisotopic Mass: 227.03096145
• SMILES: c1(C(CN)(C)C)c(Br)cccc1
• Canonical SMILES: NCC(c1ccccc1Br)(C)C
• InChI: InChI=1S/C10H14BrN/c1-10(2,7-12)8-5-3-4-6-9(8)11/h3-6H,7,12H2,1-2H3
• InChIKey: VKIIPNMFKYLRKM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD11898937
• PubChem SID: 164297249
• PubChem CID: 10489504

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.082190596
• LogD (pH = 7.4): 0.904304
• Log P: 2.8994017
• Molar Refractivity: 55.7789 cm^3
• Polarizability: 21.835575 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.094

Product Information

• Purity: 95%