4-ethyl-N-[1-(4-fluorophenyl)ethyl]cyclohexan-1-amine

• ChemBase ID: 270606
• Molecular Formular: C16H24FN
• Molecular Mass: 249.3668632
• Monoisotopic Mass: 249.18927799
• SMILES: N(C(c1ccc(cc1)F)C)C1CCC(CC1)CC
• Canonical SMILES: CCC1CCC(CC1)NC(c1ccc(cc1)F)C
• InChI: InChI=1S/C16H24FN/c1-3-13-4-10-16(11-5-13)18-12(2)14-6-8-15(17)9-7-14/h6-9,12-13,16,18H,3-5,10-11H2,1-2H3
• InChIKey: LYBFTYWXDUXOFN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-ethyl-N-[1-(4-fluorophenyl)ethyl]cyclohexan-1-amine
• IUPAC Traditional name: 4-ethyl-N-[1-(4-fluorophenyl)ethyl]cyclohexan-1-amine
• Synonyms: 4-ethyl-N-[1-(4-fluorophenyl)ethyl]cyclohexan-1-amine

Database IDs

• MDL Number: MFCD11117056
• PubChem SID: 164326516
• PubChem CID: 43079064

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 1.4030036
• LogD (pH = 7.4): 2.1093774
• Log P: 4.62173
• Molar Refractivity: 74.105 cm^3
• Polarizability: 29.1954 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 5.041

Product Information

• Purity: 95%