4-(morpholin-4-yl)-N-(propan-2-yl)aniline

• ChemBase ID: 267599
• Molecular Formular: C13H20N2O
• Molecular Mass: 220.3107
• Monoisotopic Mass: 220.15756327
• SMILES: N1(c2ccc(NC(C)C)cc2)CCOCC1
• Canonical SMILES: CC(Nc1ccc(cc1)N1CCOCC1)C
• InChI: InChI=1S/C13H20N2O/c1-11(2)14-12-3-5-13(6-4-12)15-7-9-16-10-8-15/h3-6,11,14H,7-10H2,1-2H3
• InChIKey: WYZBSJRPNJGDJW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(morpholin-4-yl)-N-(propan-2-yl)aniline
• IUPAC Traditional name: N-isopropyl-4-(morpholin-4-yl)aniline
• Synonyms: 4-(morpholin-4-yl)-N-(propan-2-yl)aniline

Database IDs

• MDL Number: MFCD11161749
• PubChem SID: 164323509
• PubChem CID: 28675744

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.8577967
• LogD (pH = 7.4): 2.0218234
• Log P: 2.1089504
• Molar Refractivity: 68.9223 cm^3
• Polarizability: 25.462826 Å^3
• Polar Surface Area: 24.5 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.935

Product Information

• Purity: 95%