N-[3-(morpholin-4-yl)propyl]aniline

• ChemBase ID: 243455
• Molecular Formular: C13H20N2O
• Molecular Mass: 220.3107
• Monoisotopic Mass: 220.15756327
• SMILES: N1(CCCNc2ccccc2)CCOCC1
• Canonical SMILES: O1CCN(CC1)CCCNc1ccccc1
• InChI: InChI=1S/C13H20N2O/c1-2-5-13(6-3-1)14-7-4-8-15-9-11-16-12-10-15/h1-3,5-6,14H,4,7-12H2
• InChIKey: GWOODGLTWCTWTP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD16311424
• PubChem SID: 164299365
• PubChem CID: 59526603

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.519669
• LogD (pH = 7.4): 1.041797
• Log P: 1.3061278
• Molar Refractivity: 68.2108 cm^3
• Polarizability: 25.859514 Å^3
• Polar Surface Area: 24.5 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.127

Product Information

• Purity: 95%