3-[(2R)-4-propylmorpholin-2-yl]phenol

• ChemBase ID: 128902
• Molecular Formular: C13H19NO2
• Molecular Mass: 221.29546
• Monoisotopic Mass: 221.14157885
• SMILES: CCCN1CCO[C@@H](C1)c1cc(ccc1)O
• Canonical SMILES: CCCN1CCO[C@@H](C1)c1cccc(c1)O
• InChI: InChI=1S/C13H19NO2/c1-2-6-14-7-8-16-13(10-14)11-4-3-5-12(15)9-11/h3-5,9,13,15H,2,6-8,10H2,1H3/t13-/m0/s1
• InChIKey: WYEGTIGJSHGEID-ZDUSSCGKSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-[(2R)-4-propylmorpholin-2-yl]phenol
• IUPAC Traditional name: 3-[(2R)-4-propylmorpholin-2-yl]phenol
• Synonyms: PF-219,061

Database IDs

• CAS Number: 710654-74-3
• PubChem SID: 162223204
• PubChem CID: 9794475
• Wikipedia Title: PF-219,061

CALCULATED PROPERTIES

• Acid pKa: 9.363505
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.69111747
• LogD (pH = 7.4): 2.1380992
• Log P: 2.3316743
• Molar Refractivity: 64.5989 cm^3
• Polarizability: 25.3076 Å^3
• Polar Surface Area: 32.7 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Pharmacology Properties

• Admin Routes: Nasal