1-(4-bromophenyl)cyclopentan-1-amine hydrochloride

• ChemBase ID: 259834
• Molecular Formular: C11H15BrClN
• Molecular Mass: 276.6005
• Monoisotopic Mass: 275.00763917
• SMILES: C1(c2ccc(cc2)Br)(N)CCCC1.Cl
• Canonical SMILES: NC1(CCCC1)c1ccc(cc1)Br.Cl
• InChI: InChI=1S/C11H14BrN.ClH/c12-10-5-3-9(4-6-10)11(13)7-1-2-8-11;/h3-6H,1-2,7-8,13H2;1H
• InChIKey: KDUWFLSBTKRNKX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(4-bromophenyl)cyclopentan-1-amine hydrochloride
• IUPAC Traditional name: 1-(4-bromophenyl)cyclopentan-1-amine hydrochloride
• Synonyms: 1-(4-bromophenyl)cyclopentan-1-amine hydrochloride

Database IDs

• MDL Number: MFCD12197344
• PubChem SID: 164315744
• PubChem CID: 42959175

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 0.12757052
• LogD (pH = 7.4): 0.67906564
• Log P: 3.1462374
• Molar Refractivity: 58.457 cm^3
• Polarizability: 23.022 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 260 - 262°C
• Hydrophobicity(logP): 3.419

Product Information

• Purity: 95%