[1-(3-fluorophenyl)cyclohexyl]methanamine

• ChemBase ID: 263192
• Molecular Formular: C13H18FN
• Molecular Mass: 207.2871232
• Monoisotopic Mass: 207.1423278
• SMILES: C1(c2cc(F)ccc2)(CN)CCCCC1
• Canonical SMILES: NCC1(CCCCC1)c1cccc(c1)F
• InChI: InChI=1S/C13H18FN/c14-12-6-4-5-11(9-12)13(10-15)7-2-1-3-8-13/h4-6,9H,1-3,7-8,10,15H2
• InChIKey: FVUNYNAPGFKYRV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [1-(3-fluorophenyl)cyclohexyl]methanamine
• IUPAC Traditional name: [1-(3-fluorophenyl)cyclohexyl]methanamine
• Synonyms: [1-(3-fluorophenyl)cyclohexyl]methanamine

Database IDs

• MDL Number: MFCD06213187
• PubChem SID: 164319102
• PubChem CID: 20110060

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 0.16119397
• LogD (pH = 7.4): 1.1438297
• Log P: 3.143331
• Molar Refractivity: 60.3733 cm^3
• Polarizability: 23.586447 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.687

Product Information

• Purity: 95%