[1-(4-bromophenyl)cyclopentyl]methanamine

• ChemBase ID: 277654
• Molecular Formular: C12H16BrN
• Molecular Mass: 254.16614
• Monoisotopic Mass: 253.04661152
• SMILES: C1(c2ccc(cc2)Br)(CN)CCCC1
• Canonical SMILES: NCC1(CCCC1)c1ccc(cc1)Br
• InChI: InChI=1S/C12H16BrN/c13-11-5-3-10(4-6-11)12(9-14)7-1-2-8-12/h3-6H,1-2,7-9,14H2
• InChIKey: VEGUIFKLZDKBJV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [1-(4-bromophenyl)cyclopentyl]methanamine
• IUPAC Traditional name: [1-(4-bromophenyl)cyclopentyl]methanamine
• Synonyms: [1-(4-bromophenyl)cyclopentyl]methanamine

Database IDs

• MDL Number: MFCD10689718
• PubChem SID: 164333564
• PubChem CID: 43119067

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 0.33935937
• LogD (pH = 7.4): 1.2976029
• Log P: 3.3248131
• Molar Refractivity: 63.1787 cm^3
• Polarizability: 24.780579 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.848

Product Information

• Purity: 95%