1-[4-(cyclohexyloxy)-3-fluorophenyl]ethan-1-amine

• ChemBase ID: 236203
• Molecular Formular: C14H20FNO
• Molecular Mass: 237.3131032
• Monoisotopic Mass: 237.15289249
• SMILES: c1(c(cc(cc1)C(N)C)F)OC1CCCCC1
• Canonical SMILES: Fc1cc(ccc1OC1CCCCC1)C(N)C
• InChI: InChI=1S/C14H20FNO/c1-10(16)11-7-8-14(13(15)9-11)17-12-5-3-2-4-6-12/h7-10,12H,2-6,16H2,1H3
• InChIKey: MPXYDDQNEDBTLX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-[4-(cyclohexyloxy)-3-fluorophenyl]ethan-1-amine
• IUPAC Traditional name: 1-[4-(cyclohexyloxy)-3-fluorophenyl]ethanamine
• Synonyms: 1-[4-(cyclohexyloxy)-3-fluorophenyl]ethan-1-amine

Database IDs

• MDL Number: MFCD11137197
• PubChem SID: 164292113
• PubChem CID: 43188984

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.30590066
• LogD (pH = 7.4): 1.1929973
• Log P: 3.2998905
• Molar Refractivity: 66.644 cm^3
• Polarizability: 26.177996 Å^3
• Polar Surface Area: 35.25 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.436

Product Information

• Purity: 95%