(2R,5R)-2-cyclopropyl-5-phenylmorpholine

• ChemBase ID: 796409
• Molecular Formular: C13H17NO
• Molecular Mass: 203.28018
• Monoisotopic Mass: 203.13101417
• SMILES: C1[C@H](OC[C@H](N1)c1ccccc1)C1CC1
• Canonical SMILES: N1C[C@H](OC[C@H]1c1ccccc1)C1CC1
• InChI: InChI=1S/C13H17NO/c1-2-4-10(5-3-1)12-9-15-13(8-14-12)11-6-7-11/h1-5,11-14H,6-9H2/t12-,13-/m0/s1
• InChIKey: JDQUEKNXQJSOFW-STQMWFEESA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2R,5R)-2-cyclopropyl-5-phenylmorpholine
• IUPAC Traditional name: (2R,5R)-2-cyclopropyl-5-phenylmorpholine
• Synonyms: (2R,5R)-2-Cyclopropyl-5-phenylMorpholine

Database IDs

• CAS Number: 1349829-31-7

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.28282025
• LogD (pH = 7.4): 1.4515435
• Log P: 2.2132056
• Molar Refractivity: 59.6629 cm^3
• Polarizability: 23.991402 Å^3
• Polar Surface Area: 21.26 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 97%