1-(2-bromophenyl)cyclopentan-1-amine

• ChemBase ID: 798813
• Molecular Formular: C11H14BrN
• Molecular Mass: 240.13956
• Monoisotopic Mass: 239.03096145
• SMILES: C1(CCCC1)(N)c1c(cccc1)Br
• Canonical SMILES: Brc1ccccc1C1(N)CCCC1
• InChI: InChI=1S/C11H14BrN/c12-10-6-2-1-5-9(10)11(13)7-3-4-8-11/h1-2,5-6H,3-4,7-8,13H2
• InChIKey: BJKHIOWMERKSSJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 1176042-51-5

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 0.13423033
• LogD (pH = 7.4): 0.80703545
• Log P: 3.1462374
• Molar Refractivity: 58.457 cm^3
• Polarizability: 23.02291 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%