4-(cyclopentyloxy)aniline hydrochloride

• ChemBase ID: 123949
• Molecular Formular: C11H16ClNO
• Molecular Mass: 213.70384
• Monoisotopic Mass: 213.09204182
• SMILES: O(c1ccc(N)cc1)C1CCCC1.Cl
• Canonical SMILES: Nc1ccc(cc1)OC1CCCC1.Cl
• InChI: InChI=1S/C11H15NO.ClH/c12-9-5-7-11(8-6-9)13-10-3-1-2-4-10;/h5-8,10H,1-4,12H2;1H
• InChIKey: UXKDWLSFAQUFRH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(cyclopentyloxy)aniline hydrochloride
• IUPAC Traditional name: 4-(cyclopentyloxy)aniline hydrochloride
• Synonyms: 4-(cyclopentyloxy)aniline hydrochloride

Database IDs

• MDL Number: MFCD09863405
• PubChem SID: 162218302
• PubChem CID: 43810510

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.1928167
• LogD (pH = 7.4): 2.3391216
• Log P: 2.3413506
• Molar Refractivity: 53.6348 cm^3
• Polarizability: 20.628288 Å^3
• Polar Surface Area: 35.25 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 219 - 221°C
• Hydrophobicity(logP): 2.476

Product Information

• Purity: 95%
• Salt Data: HCl