3-(cyclopentyloxy)aniline

• ChemBase ID: 31595
• Molecular Formular: C11H15NO
• Molecular Mass: 177.2429
• Monoisotopic Mass: 177.11536411
• SMILES: c1c(OC2CCCC2)cccc1N
• Canonical SMILES: Nc1cccc(c1)OC1CCCC1
• InChI: InChI=1S/C11H15NO/c12-9-4-3-7-11(8-9)13-10-5-1-2-6-10/h3-4,7-8,10H,1-2,5-6,12H2
• InChIKey: XQNLSQQEYXXVRM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(cyclopentyloxy)aniline
• IUPAC Traditional name: 3-(cyclopentyloxy)aniline
• Synonyms: 3-Cyclopentyloxy-phenylamine; 3-(cyclopentyloxy)aniline

Database IDs

• CAS Number: 653604-38-7
• MDL Number: MFCD09036966
• PubChem SID: 160994902
• PubChem CID: 16783052

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.3272038
• LogD (pH = 7.4): 2.3411694
• Log P: 2.3413506
• Molar Refractivity: 53.6348 cm^3
• Polarizability: 20.629498 Å^3
• Polar Surface Area: 35.25 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.476

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%