3-(cyclopentyloxy)aniline hydrochloride

• ChemBase ID: 254867
• Molecular Formular: C11H16ClNO
• Molecular Mass: 213.70384
• Monoisotopic Mass: 213.09204182
• SMILES: c1c(OC2CCCC2)cccc1N.Cl
• Canonical SMILES: Nc1cccc(c1)OC1CCCC1.Cl
• InChI: InChI=1S/C11H15NO.ClH/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;1H
• InChIKey: JEWIYCICDLLCEF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(cyclopentyloxy)aniline hydrochloride
• IUPAC Traditional name: 3-(cyclopentyloxy)aniline hydrochloride
• Synonyms: 3-(cyclopentyloxy)aniline hydrochloride

Database IDs

• MDL Number: MFCD09863407
• PubChem SID: 164310777
• PubChem CID: 43810511

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

Product Information

• Purity: 95%