3-[1-(morpholin-4-yl)ethyl]aniline

• ChemBase ID: 270749
• Molecular Formular: C12H18N2O
• Molecular Mass: 206.28412
• Monoisotopic Mass: 206.14191321
• SMILES: N1(C(c2cc(N)ccc2)C)CCOCC1
• Canonical SMILES: Nc1cccc(c1)C(N1CCOCC1)C
• InChI: InChI=1S/C12H18N2O/c1-10(14-5-7-15-8-6-14)11-3-2-4-12(13)9-11/h2-4,9-10H,5-8,13H2,1H3
• InChIKey: FGFSGBJDBYGTJD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-[1-(morpholin-4-yl)ethyl]aniline
• IUPAC Traditional name: 3-[1-(morpholin-4-yl)ethyl]aniline
• Synonyms: 3-[1-(morpholin-4-yl)ethyl]aniline

Database IDs

• MDL Number: MFCD11593206
• PubChem SID: 164326659
• PubChem CID: 50987526

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.7428424
• LogD (pH = 7.4): 0.9102151
• Log P: 1.2837912
• Molar Refractivity: 62.7944 cm^3
• Polarizability: 24.01022 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%