4-[1-(morpholin-4-yl)ethyl]aniline

• ChemBase ID: 271129
• Molecular Formular: C12H18N2O
• Molecular Mass: 206.28412
• Monoisotopic Mass: 206.14191321
• SMILES: N1(C(c2ccc(N)cc2)C)CCOCC1
• Canonical SMILES: CC(c1ccc(cc1)N)N1CCOCC1
• InChI: InChI=1S/C12H18N2O/c1-10(14-6-8-15-9-7-14)11-2-4-12(13)5-3-11/h2-5,10H,6-9,13H2,1H3
• InChIKey: KGNACZCVKXGKEX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-[1-(morpholin-4-yl)ethyl]aniline
• IUPAC Traditional name: 4-[1-(morpholin-4-yl)ethyl]aniline
• Synonyms: 4-[1-(morpholin-4-yl)ethyl]aniline

Database IDs

• MDL Number: MFCD11593291
• PubChem SID: 164327039
• PubChem CID: 50987527

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.68536115
• LogD (pH = 7.4): 0.94448686
• Log P: 1.2837912
• Molar Refractivity: 62.7944 cm^3
• Polarizability: 24.01018 Å^3
• Polar Surface Area: 38.49 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.971

Product Information

• Purity: 95%