[1-(3-bromophenyl)cyclopentyl]methanamine

• ChemBase ID: 241088
• Molecular Formular: C12H16BrN
• Molecular Mass: 254.16614
• Monoisotopic Mass: 253.04661152
• SMILES: C1(c2cc(Br)ccc2)(CN)CCCC1
• Canonical SMILES: NCC1(CCCC1)c1cccc(c1)Br
• InChI: InChI=1S/C12H16BrN/c13-11-5-3-4-10(8-11)12(9-14)6-1-2-7-12/h3-5,8H,1-2,6-7,9,14H2
• InChIKey: GXLWFGBRTAIIKZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [1-(3-bromophenyl)cyclopentyl]methanamine
• IUPAC Traditional name: [1-(3-bromophenyl)cyclopentyl]methanamine
• Synonyms: [1-(3-bromophenyl)cyclopentyl]methanamine

Database IDs

• MDL Number: MFCD11642692
• PubChem SID: 164296998
• PubChem CID: 43345649

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 0.34067646
• LogD (pH = 7.4): 1.3087976
• Log P: 3.3248131
• Molar Refractivity: 63.1787 cm^3
• Polarizability: 24.780712 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%