[1-(2-fluorophenyl)cyclobutyl]methanamine hydrochloride

• ChemBase ID: 290523
• Molecular Formular: C11H15ClFN
• Molecular Mass: 215.6949032
• Monoisotopic Mass: 215.08770539
• SMILES: NCC1(c2ccccc2F)CCC1.Cl
• Canonical SMILES: NCC1(CCC1)c1ccccc1F.Cl
• InChI: InChI=1S/C11H14FN.ClH/c12-10-5-2-1-4-9(10)11(8-13)6-3-7-11;/h1-2,4-5H,3,6-8,13H2;1H
• InChIKey: SUNQYUNFGPBASA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [1-(2-fluorophenyl)cyclobutyl]methanamine hydrochloride
• IUPAC Traditional name: [1-(2-fluorophenyl)cyclobutyl]methanamine hydrochloride
• Synonyms: (1-(2-Fluorophenyl)cyclobutyl)methanamine hydrochloride

Database IDs

• CAS Number: 1228879-43-3
• PubChem SID: 180676054
• PubChem CID: 46835517

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.71802235
• LogD (pH = 7.4): 0.3292403
• Log P: 2.2541938
• Molar Refractivity: 51.1713 cm^3
• Polarizability: 19.902395 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%