{1-[(2-phenylethyl)amino]cyclopentyl}methanol

• ChemBase ID: 236162
• Molecular Formular: C14H21NO
• Molecular Mass: 219.32264
• Monoisotopic Mass: 219.1623143
• SMILES: C1(NCCc2ccccc2)(CO)CCCC1
• Canonical SMILES: OCC1(CCCC1)NCCc1ccccc1
• InChI: InChI=1S/C14H21NO/c16-12-14(9-4-5-10-14)15-11-8-13-6-2-1-3-7-13/h1-3,6-7,15-16H,4-5,8-12H2
• InChIKey: WHYNFQHRHRMPBX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: {1-[(2-phenylethyl)amino]cyclopentyl}methanol
• IUPAC Traditional name: {1-[(2-phenylethyl)amino]cyclopentyl}methanol
• Synonyms: {1-[(2-phenylethyl)amino]cyclopentyl}methanol

Database IDs

• MDL Number: MFCD16784451
• PubChem SID: 164292072
• PubChem CID: 62522733

CALCULATED PROPERTIES

• Acid pKa: 14.777909
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -0.8089117
• LogD (pH = 7.4): -0.08559142
• Log P: 2.4086244
• Molar Refractivity: 66.6561 cm^3
• Polarizability: 26.424229 Å^3
• Polar Surface Area: 32.26 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 86 - 88°C
• Hydrophobicity(logP): 2.568

Product Information

• Purity: 95%