4-(cyclopentyloxy)-3-fluoroaniline hydrochloride

• ChemBase ID: 283125
• Molecular Formular: C11H15ClFNO
• Molecular Mass: 231.6943032
• Monoisotopic Mass: 231.08262001
• SMILES: c1(c(cc(N)cc1)F)OC1CCCC1.Cl
• Canonical SMILES: Nc1ccc(c(c1)F)OC1CCCC1.Cl
• InChI: InChI=1S/C11H14FNO.ClH/c12-10-7-8(13)5-6-11(10)14-9-3-1-2-4-9;/h5-7,9H,1-4,13H2;1H
• InChIKey: BWVTVLJUBISIFG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(cyclopentyloxy)-3-fluoroaniline hydrochloride
• IUPAC Traditional name: 4-(cyclopentyloxy)-3-fluoroaniline hydrochloride
• Synonyms: 4-(cyclopentyloxy)-3-fluoroaniline hydrochloride

Database IDs

• MDL Number: MFCD20441744
• PubChem SID: 180668656
• PubChem CID: 54595623

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.467145
• LogD (pH = 7.4): 2.4838355
• Log P: 2.4840524
• Molar Refractivity: 53.8512 cm^3
• Polarizability: 20.287764 Å^3
• Polar Surface Area: 35.25 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 229 - 231°C
• Hydrophobicity(logP): 2.631

Product Information

• Purity: 95%