cyclohexyl 4-aminobenzoate

• ChemBase ID: 124006
• Molecular Formular: C13H17NO2
• Molecular Mass: 219.27958
• Monoisotopic Mass: 219.12592879
• SMILES: C(=O)(OC1CCCCC1)c1ccc(N)cc1
• Canonical SMILES: O=C(c1ccc(cc1)N)OC1CCCCC1
• InChI: InChI=1S/C13H17NO2/c14-11-8-6-10(7-9-11)13(15)16-12-4-2-1-3-5-12/h6-9,12H,1-5,14H2
• InChIKey: OVZZSSYVRJEJQF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: cyclohexyl 4-aminobenzoate
• IUPAC Traditional name: cyclohexyl 4-aminobenzoate
• Synonyms: cyclohexyl 4-aminobenzoate

Database IDs

• PubChem SID: 162218359
• PubChem CID: 700604

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.9462278
• LogD (pH = 7.4): 2.9470568
• Log P: 2.9470673
• Molar Refractivity: 63.7979 cm^3
• Polarizability: 24.363955 Å^3
• Polar Surface Area: 52.32 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true