(3-cyclohexyl-3-phenylpropyl)dimethylamine

• ChemBase ID: 127525
• Molecular Formular: C17H27N
• Molecular Mass: 245.40298
• Monoisotopic Mass: 245.21434987
• SMILES: c1ccccc1C(CCN(C)C)C1CCCCC1
• Canonical SMILES: CN(CCC(c1ccccc1)C1CCCCC1)C
• InChI: InChI=1S/C17H27N/c1-18(2)14-13-17(15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3,5-6,9-10,16-17H,4,7-8,11-14H2,1-2H3
• InChIKey: AJDSHXKJJDQZCJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (3-cyclohexyl-3-phenylpropyl)dimethylamine
• IUPAC Traditional name: gamfexine
• Synonyms: Gamfexine

Database IDs

• CAS Number: 7273-99-6
• PubChem SID: 162221844
• PubChem CID: 31041
• Chemspider ID: 28799
• KEGG ID: D04298
• Unique Ingredient Identifier: 3U2V80KPAL
• Wikipedia Title: Gamfexine

CALCULATED PROPERTIES

• Lipinski's Rule of Five: true
• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 1.1342138
• LogD (pH = 7.4): 2.3622768
• Log P: 4.5364594
• Molar Refractivity: 79.6557 cm^3
• Polarizability: 31.394247 Å^3
• Polar Surface Area: 3.24 Å^2
• Rotatable Bonds: 5

PROPERTIES

Pharmacology Properties

• Admin Routes: Oral
• Legal Status: Unscheduled