2-(2,6-dimethylmorpholin-4-yl)aniline

• ChemBase ID: 260757
• Molecular Formular: C12H18N2O
• Molecular Mass: 206.28412
• Monoisotopic Mass: 206.14191321
• SMILES: N1(c2c(N)cccc2)CC(OC(C1)C)C
• Canonical SMILES: CC1OC(C)CN(C1)c1ccccc1N
• InChI: InChI=1S/C12H18N2O/c1-9-7-14(8-10(2)15-9)12-6-4-3-5-11(12)13/h3-6,9-10H,7-8,13H2,1-2H3
• InChIKey: IDHWZCIKOONKTO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2,6-dimethylmorpholin-4-yl)aniline
• IUPAC Traditional name: 2-(2,6-dimethylmorpholin-4-yl)aniline
• Synonyms: 2-(2,6-dimethylmorpholin-4-yl)aniline

Database IDs

• MDL Number: MFCD08442782
• PubChem SID: 164316667
• PubChem CID: 16769581

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.8496714
• LogD (pH = 7.4): 1.8667905
• Log P: 1.8670133
• Molar Refractivity: 63.0991 cm^3
• Polarizability: 23.621788 Å^3
• Polar Surface Area: 38.49 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 83 - 85°C
• Hydrophobicity(logP): 1.773

Product Information

• Purity: 95%