4-(morpholin-4-yl)-N-(pyridin-2-ylmethyl)aniline

• ChemBase ID: 242605
• Molecular Formular: C16H19N3O
• Molecular Mass: 269.34156
• Monoisotopic Mass: 269.15281224
• SMILES: N1(c2ccc(NCc3ncccc3)cc2)CCOCC1
• Canonical SMILES: O1CCN(CC1)c1ccc(cc1)NCc1ccccn1
• InChI: InChI=1S/C16H19N3O/c1-2-8-17-15(3-1)13-18-14-4-6-16(7-5-14)19-9-11-20-12-10-19/h1-8,18H,9-13H2
• InChIKey: NKTCNEWNEPPJRM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(morpholin-4-yl)-N-(pyridin-2-ylmethyl)aniline
• IUPAC Traditional name: 4-(morpholin-4-yl)-N-(pyridin-2-ylmethyl)aniline
• Synonyms: 4-(morpholin-4-yl)-N-(pyridin-2-ylmethyl)aniline

Database IDs

• MDL Number: MFCD11058403
• PubChem SID: 164298515
• PubChem CID: 18778529

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 1.7896086
• LogD (pH = 7.4): 1.9218681
• Log P: 1.9238399
• Molar Refractivity: 81.6884 cm^3
• Polarizability: 30.473125 Å^3
• Polar Surface Area: 37.39 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 132 - 134°C
• Hydrophobicity(logP): 1.048

Product Information

• Purity: 95%