2-[4-(morpholin-4-yl)phenyl]ethan-1-amine

• ChemBase ID: 50892
• Molecular Formular: C12H18N2O
• Molecular Mass: 206.28412
• Monoisotopic Mass: 206.14191321
• SMILES: N1(c2ccc(cc2)CCN)CCOCC1
• Canonical SMILES: NCCc1ccc(cc1)N1CCOCC1
• InChI: InChI=1S/C12H18N2O/c13-6-5-11-1-3-12(4-2-11)14-7-9-15-10-8-14/h1-4H,5-10,13H2
• InChIKey: USKPIYGGLOVZND-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[4-(morpholin-4-yl)phenyl]ethan-1-amine
• IUPAC Traditional name: 2-[4-(morpholin-4-yl)phenyl]ethanamine
• Synonyms: 2-(4-Morpholin-4-yl-phenyl)-ethylamine

Database IDs

• MDL Number: MFCD03840515
• PubChem SID: 162055655
• PubChem CID: 23009596

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.7363664
• LogD (pH = 7.4): -1.0882635
• Log P: 1.2772188
• Molar Refractivity: 62.7895 cm^3
• Polarizability: 23.932232 Å^3
• Polar Surface Area: 38.49 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false