3-(cyclohexyloxy)aniline

• ChemBase ID: 269941
• Molecular Formular: C12H17NO
• Molecular Mass: 191.26948
• Monoisotopic Mass: 191.13101417
• SMILES: c1c(OC2CCCCC2)cccc1N
• Canonical SMILES: Nc1cccc(c1)OC1CCCCC1
• InChI: InChI=1S/C12H17NO/c13-10-5-4-8-12(9-10)14-11-6-2-1-3-7-11/h4-5,8-9,11H,1-3,6-7,13H2
• InChIKey: JFZOUVTVISNAGW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(cyclohexyloxy)aniline
• IUPAC Traditional name: 3-(cyclohexyloxy)aniline
• Synonyms: 3-(cyclohexyloxy)aniline

Database IDs

• MDL Number: MFCD11167593
• PubChem SID: 164325851
• PubChem CID: 17608965

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.7711935
• LogD (pH = 7.4): 2.7857306
• Log P: 2.7859192
• Molar Refractivity: 58.2358 cm^3
• Polarizability: 22.47442 Å^3
• Polar Surface Area: 35.25 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.035

Product Information

• Purity: 95%