1-(3-bromophenyl)cyclohexan-1-amine

• ChemBase ID: 284093
• Molecular Formular: C12H16BrN
• Molecular Mass: 254.16614
• Monoisotopic Mass: 253.04661152
• SMILES: C1(c2cc(Br)ccc2)(N)CCCCC1
• Canonical SMILES: Brc1cccc(c1)C1(N)CCCCC1
• InChI: InChI=1S/C12H16BrN/c13-11-6-4-5-10(9-11)12(14)7-2-1-3-8-12/h4-6,9H,1-3,7-8,14H2
• InChIKey: GXIJPEOUTSNTTJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD11642709
• PubChem SID: 180669624
• PubChem CID: 43345661

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 0.5736759
• LogD (pH = 7.4): 1.1565235
• Log P: 3.590806
• Molar Refractivity: 63.058 cm^3
• Polarizability: 24.853115 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.978

Product Information

• Purity: 95%