1-(morpholin-4-yl)-3-phenylpropan-2-amine

• ChemBase ID: 273206
• Molecular Formular: C13H20N2O
• Molecular Mass: 220.3107
• Monoisotopic Mass: 220.15756327
• SMILES: N1(CC(Cc2ccccc2)N)CCOCC1
• Canonical SMILES: NC(Cc1ccccc1)CN1CCOCC1
• InChI: InChI=1S/C13H20N2O/c14-13(10-12-4-2-1-3-5-12)11-15-6-8-16-9-7-15/h1-5,13H,6-11,14H2
• InChIKey: BRDHVWUPHKOGER-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(morpholin-4-yl)-3-phenylpropan-2-amine
• IUPAC Traditional name: 1-(morpholin-4-yl)-3-phenylpropan-2-amine
• Synonyms: 1-(morpholin-4-yl)-3-phenylpropan-2-amine

Database IDs

• MDL Number: MFCD11154920
• PubChem SID: 164329116
• PubChem CID: 9857263

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.8769643
• LogD (pH = 7.4): -0.55030817
• Log P: 1.2475866
• Molar Refractivity: 66.0502 cm^3
• Polarizability: 26.17492 Å^3
• Polar Surface Area: 38.49 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 54 - 56°C
• Hydrophobicity(logP): 1.546

Product Information

• Purity: 95%