4-(2-cyclohexylethoxy)-N-(3-phenylpropyl)aniline

• ChemBase ID: 29631
• Molecular Formular: C23H31NO
• Molecular Mass: 337.49834
• Monoisotopic Mass: 337.24056462
• SMILES: c1(NCCCc2ccccc2)ccc(cc1)OCCC1CCCCC1
• Canonical SMILES: C1CCC(CC1)CCOc1ccc(cc1)NCCCc1ccccc1
• InChI: InChI=1S/C23H31NO/c1-3-8-20(9-4-1)12-7-18-24-22-13-15-23(16-14-22)25-19-17-21-10-5-2-6-11-21/h1,3-4,8-9,13-16,21,24H,2,5-7,10-12,17-19H2
• InChIKey: IWSUAVDYSVRDEI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(2-cyclohexylethoxy)-N-(3-phenylpropyl)aniline
• IUPAC Traditional name: 4-(2-cyclohexylethoxy)-N-(3-phenylpropyl)aniline
• Synonyms: N-[4-(2-Cyclohexylethoxy)phenyl]-N-(3-phenylpropyl)amine

Database IDs

• MDL Number: MFCD10688220
• PubChem SID: 160992938
• PubChem CID: 28309016

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 5.5144405
• LogD (pH = 7.4): 6.2045436
• Log P: 6.226954
• Molar Refractivity: 107.1066 cm^3
• Polarizability: 41.25473 Å^3
• Polar Surface Area: 21.26 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: false

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false