{3-[(cyclopentyloxy)methyl]phenyl}methanamine

• ChemBase ID: 273091
• Molecular Formular: C13H19NO
• Molecular Mass: 205.29606
• Monoisotopic Mass: 205.14666423
• SMILES: O(Cc1cc(CN)ccc1)C1CCCC1
• Canonical SMILES: NCc1cccc(c1)COC1CCCC1
• InChI: InChI=1S/C13H19NO/c14-9-11-4-3-5-12(8-11)10-15-13-6-1-2-7-13/h3-5,8,13H,1-2,6-7,9-10,14H2
• InChIKey: BIFXUMFESRNNRN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: {3-[(cyclopentyloxy)methyl]phenyl}methanamine
• IUPAC Traditional name: {3-[(cyclopentyloxy)methyl]phenyl}methanamine
• Synonyms: {3-[(cyclopentyloxy)methyl]phenyl}methanamine

Database IDs

• MDL Number: MFCD09734898
• PubChem SID: 164329001
• PubChem CID: 16788130

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.6553464
• LogD (pH = 7.4): 0.30753875
• Log P: 2.3294928
• Molar Refractivity: 62.5117 cm^3
• Polarizability: 24.723194 Å^3
• Polar Surface Area: 35.25 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.224

Product Information

• Purity: 95%