2-(benzyloxy)cyclopentan-1-amine hydrochloride

• ChemBase ID: 240770
• Molecular Formular: C12H18ClNO
• Molecular Mass: 227.73042
• Monoisotopic Mass: 227.10769188
• SMILES: O(C1C(N)CCC1)Cc1ccccc1.Cl
• Canonical SMILES: NC1CCCC1OCc1ccccc1.Cl
• InChI: InChI=1S/C12H17NO.ClH/c13-11-7-4-8-12(11)14-9-10-5-2-1-3-6-10;/h1-3,5-6,11-12H,4,7-9,13H2;1H
• InChIKey: YKVRQNSFUGFHHJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(benzyloxy)cyclopentan-1-amine hydrochloride
• IUPAC Traditional name: 2-(benzyloxy)cyclopentan-1-amine hydrochloride
• Synonyms: 2-(benzyloxy)cyclopentan-1-amine hydrochloride

Database IDs

• MDL Number: MFCD22392213
• PubChem SID: 164296680
• PubChem CID: 67461485

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.98693466
• LogD (pH = 7.4): -0.26756698
• Log P: 2.021939
• Molar Refractivity: 57.0573 cm^3
• Polarizability: 22.882162 Å^3
• Polar Surface Area: 35.25 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.049

Product Information

• Purity: 95%