4-(2-methylmorpholin-4-yl)aniline

• ChemBase ID: 277079
• Molecular Formular: C11H16N2O
• Molecular Mass: 192.25754
• Monoisotopic Mass: 192.12626314
• SMILES: N1(c2ccc(N)cc2)CC(OCC1)C
• Canonical SMILES: CC1OCCN(C1)c1ccc(cc1)N
• InChI: InChI=1S/C11H16N2O/c1-9-8-13(6-7-14-9)11-4-2-10(12)3-5-11/h2-5,9H,6-8,12H2,1H3
• InChIKey: QCCWJOTYPKCPHH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(2-methylmorpholin-4-yl)aniline
• IUPAC Traditional name: 4-(2-methylmorpholin-4-yl)aniline
• Synonyms: 4-(2-methylmorpholin-4-yl)aniline

Database IDs

• MDL Number: MFCD09047527
• PubChem SID: 164332989
• PubChem CID: 16775103

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.930933
• LogD (pH = 7.4): 1.4378405
• Log P: 1.4504383
• Molar Refractivity: 58.6803 cm^3
• Polarizability: 21.777012 Å^3
• Polar Surface Area: 38.49 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.89

Product Information

• Purity: 95%