methyl({1-[4-(morpholin-4-yl)phenyl]ethyl})amine

• ChemBase ID: 59437
• Molecular Formular: C13H20N2O
• Molecular Mass: 220.3107
• Monoisotopic Mass: 220.15756327
• SMILES: N1(c2ccc(cc2)C(NC)C)CCOCC1
• Canonical SMILES: CNC(c1ccc(cc1)N1CCOCC1)C
• InChI: InChI=1S/C13H20N2O/c1-11(14-2)12-3-5-13(6-4-12)15-7-9-16-10-8-15/h3-6,11,14H,7-10H2,1-2H3
• InChIKey: VTFHAOAYZBUAIF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl({1-[4-(morpholin-4-yl)phenyl]ethyl})amine
• IUPAC Traditional name: methyl({1-[4-(morpholin-4-yl)phenyl]ethyl})amine
• Synonyms: N-Methyl-1-(4-morpholin-4-ylphenyl)ethanamine

Database IDs

• MDL Number: MFCD08060585
• PubChem SID: 162064200
• PubChem CID: 43283934

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.374504
• LogD (pH = 7.4): -0.58301485
• Log P: 1.8377131
• Molar Refractivity: 67.2279 cm^3
• Polarizability: 25.852951 Å^3
• Polar Surface Area: 24.5 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false