1-(4-methylphenyl)-2-(morpholin-4-yl)ethan-1-amine

• ChemBase ID: 250264
• Molecular Formular: C13H20N2O
• Molecular Mass: 220.3107
• Monoisotopic Mass: 220.15756327
• SMILES: N1(CC(c2ccc(cc2)C)N)CCOCC1
• Canonical SMILES: NC(c1ccc(cc1)C)CN1CCOCC1
• InChI: InChI=1S/C13H20N2O/c1-11-2-4-12(5-3-11)13(14)10-15-6-8-16-9-7-15/h2-5,13H,6-10,14H2,1H3
• InChIKey: LETYVKDLLURZOR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(4-methylphenyl)-2-(morpholin-4-yl)ethan-1-amine
• IUPAC Traditional name: 1-(4-methylphenyl)-2-(morpholin-4-yl)ethanamine
• Synonyms: 1-(4-methylphenyl)-2-morpholin-4-ylethanamine

Database IDs

• MDL Number: MFCD07343838
• PubChem SID: 164306174
• PubChem CID: 16226737

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.541126
• LogD (pH = 7.4): -0.1060135
• Log P: 1.4723468
• Molar Refractivity: 66.3364 cm^3
• Polarizability: 26.171385 Å^3
• Polar Surface Area: 38.49 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 43 - 45°C
• Hydrophobicity(logP): 1.662

Product Information

• Purity: 95%