1-(3-bromophenyl)cyclopentan-1-amine

• ChemBase ID: 798812
• Molecular Formular: C11H14BrN
• Molecular Mass: 240.13956
• Monoisotopic Mass: 239.03096145
• SMILES: C1(CCCC1)(N)c1cc(ccc1)Br
• Canonical SMILES: Brc1cccc(c1)C1(N)CCCC1
• InChI: InChI=1S/C11H14BrN/c12-10-5-3-4-9(8-10)11(13)6-1-2-7-11/h3-5,8H,1-2,6-7,13H2
• InChIKey: LOLPDEFCBXDDEC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(3-bromophenyl)cyclopentan-1-amine
• IUPAC Traditional name: 1-(3-bromophenyl)cyclopentan-1-amine
• Synonyms: 1-(3-bromophenyl)cyclopentanamine

Database IDs

• CAS Number: 1097826-42-0

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 0.12910722
• LogD (pH = 7.4): 0.7119553
• Log P: 3.1462374
• Molar Refractivity: 58.457 cm^3
• Polarizability: 23.022028 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%