N-ethyl-4-(morpholin-4-yl)aniline

• ChemBase ID: 260345
• Molecular Formular: C12H18N2O
• Molecular Mass: 206.28412
• Monoisotopic Mass: 206.14191321
• SMILES: N1(c2ccc(NCC)cc2)CCOCC1
• Canonical SMILES: CCNc1ccc(cc1)N1CCOCC1
• InChI: InChI=1S/C12H18N2O/c1-2-13-11-3-5-12(6-4-11)14-7-9-15-10-8-14/h3-6,13H,2,7-10H2,1H3
• InChIKey: BJEWSJOAAMEMSP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-ethyl-4-(morpholin-4-yl)aniline
• IUPAC Traditional name: N-ethyl-4-(morpholin-4-yl)aniline
• Synonyms: N-ethyl-4-(morpholin-4-yl)aniline

Database IDs

• MDL Number: MFCD11161752
• PubChem SID: 164316255
• PubChem CID: 15764276

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.5904601
• LogD (pH = 7.4): 1.6311312
• Log P: 1.6923753
• Molar Refractivity: 64.5035 cm^3
• Polarizability: 23.619303 Å^3
• Polar Surface Area: 24.5 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.99

Product Information

• Purity: 95%