1-(2-bromophenyl)propan-1-amine

• ChemBase ID: 238527
• Molecular Formular: C9H12BrN
• Molecular Mass: 214.10228
• Monoisotopic Mass: 213.01531139
• SMILES: c1(c(Br)cccc1)C(N)CC
• Canonical SMILES: CCC(c1ccccc1Br)N
• InChI: InChI=1S/C9H12BrN/c1-2-9(11)7-5-3-4-6-8(7)10/h3-6,9H,2,11H2,1H3
• InChIKey: XXWZAEMBXBIREN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD16083375
• PubChem SID: 164294437
• PubChem CID: 53433960

CALCULATED PROPERTIES

• Polarizability: 20.078196 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.186783
• LogD (pH = 7.4): 0.70343906
• Log P: 2.8068643
• Molar Refractivity: 51.097 cm^3

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.795

Product Information

• Purity: 95%