2-(cyclopentyloxy)aniline

• ChemBase ID: 18062
• Molecular Formular: C11H15NO
• Molecular Mass: 177.2429
• Monoisotopic Mass: 177.11536411
• SMILES: c1(OC2CCCC2)c(N)cccc1
• Canonical SMILES: Nc1ccccc1OC1CCCC1
• InChI: InChI=1S/C11H15NO/c12-10-7-3-4-8-11(10)13-9-5-1-2-6-9/h3-4,7-9H,1-2,5-6,12H2
• InChIKey: FNBWQWIPPGLDPD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(cyclopentyloxy)aniline
• IUPAC Traditional name: 2-(cyclopentyloxy)aniline
• Synonyms: 2-Cyclopentyloxy-phenylamine

Database IDs

• CAS Number: 29026-75-3
• MDL Number: MFCD04970988
• PubChem SID: 160981369
• PubChem CID: 6485398

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.3070998
• LogD (pH = 7.4): 2.3409019
• Log P: 2.3413506
• Molar Refractivity: 53.6348 cm^3
• Polarizability: 20.630466 Å^3
• Polar Surface Area: 35.25 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false