[2-(cyclopentyloxy)phenyl]methanamine

• ChemBase ID: 260122
• Molecular Formular: C12H17NO
• Molecular Mass: 191.26948
• Monoisotopic Mass: 191.13101417
• SMILES: c1(OC2CCCC2)c(CN)cccc1
• Canonical SMILES: NCc1ccccc1OC1CCCC1
• InChI: InChI=1S/C12H17NO/c13-9-10-5-1-4-8-12(10)14-11-6-2-3-7-11/h1,4-5,8,11H,2-3,6-7,9,13H2
• InChIKey: NYCBHEMCYMXECF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [2-(cyclopentyloxy)phenyl]methanamine
• IUPAC Traditional name: [2-(cyclopentyloxy)phenyl]methanamine
• Synonyms: [2-(cyclopentyloxy)phenyl]methanamine

Database IDs

• MDL Number: MFCD09740790
• PubChem SID: 164316032
• PubChem CID: 16793964

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.5988859
• LogD (pH = 7.4): 0.73959476
• Log P: 2.2960448
• Molar Refractivity: 57.4078 cm^3
• Polarizability: 22.866367 Å^3
• Polar Surface Area: 35.25 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.485

Product Information

• Purity: 95%