[4-(cyclopentyloxy)phenyl]methanamine hydrochloride

• ChemBase ID: 266940
• Molecular Formular: C12H18ClNO
• Molecular Mass: 227.73042
• Monoisotopic Mass: 227.10769188
• SMILES: O(c1ccc(cc1)CN)C1CCCC1.Cl
• Canonical SMILES: NCc1ccc(cc1)OC1CCCC1.Cl
• InChI: InChI=1S/C12H17NO.ClH/c13-9-10-5-7-12(8-6-10)14-11-3-1-2-4-11;/h5-8,11H,1-4,9,13H2;1H
• InChIKey: AKTPRQGBODBGOO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [4-(cyclopentyloxy)phenyl]methanamine hydrochloride
• IUPAC Traditional name: [4-(cyclopentyloxy)phenyl]methanamine hydrochloride
• Synonyms: [4-(cyclopentyloxy)phenyl]methanamine hydrochloride

Database IDs

• MDL Number: MFCD16040100
• PubChem SID: 164322850
• PubChem CID: 47002878

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.6920802
• LogD (pH = 7.4): 0.2452969
• Log P: 2.2960448
• Molar Refractivity: 57.4078 cm^3
• Polarizability: 22.86612 Å^3
• Polar Surface Area: 35.25 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 263 - 265°C
• Hydrophobicity(logP): 2.485

Product Information

• Purity: 95%