1-phenyl-N-propylcyclohexan-1-amine

• ChemBase ID: 128836
• Molecular Formular: C15H23N
• Molecular Mass: 217.34982
• Monoisotopic Mass: 217.18304974
• SMILES: N(CCC)C1(c2ccccc2)CCCCC1
• Canonical SMILES: CCCNC1(CCCCC1)c1ccccc1
• InChI: InChI=1S/C15H23N/c1-2-13-16-15(11-7-4-8-12-15)14-9-5-3-6-10-14/h3,5-6,9-10,16H,2,4,7-8,11-13H2,1H3
• InChIKey: KHXNTQRMMGXPQW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-phenyl-N-propylcyclohexan-1-amine
• IUPAC Traditional name: PCPr
• Synonyms: PCPr

Database IDs

• CAS Number: 18949-81-0
• PubChem SID: 162223140
• PubChem CID: 599880
• Chemspider ID: 521518
• Wikipedia Title: PCPr

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 0.9022424
• LogD (pH = 7.4): 1.3549818
• Log P: 4.133964
• Molar Refractivity: 69.4824 cm^3
• Polarizability: 27.778288 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true