methyl({[2-(morpholin-4-yl)phenyl]methyl})amine

• ChemBase ID: 30777
• Molecular Formular: C12H18N2O
• Molecular Mass: 206.28412
• Monoisotopic Mass: 206.14191321
• SMILES: N1(c2c(CNC)cccc2)CCOCC1
• Canonical SMILES: CNCc1ccccc1N1CCOCC1
• InChI: InChI=1S/C12H18N2O/c1-13-10-11-4-2-3-5-12(11)14-6-8-15-9-7-14/h2-5,13H,6-10H2,1H3
• InChIKey: HUJGEEUTLCYING-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl({[2-(morpholin-4-yl)phenyl]methyl})amine
• IUPAC Traditional name: methyl({[2-(morpholin-4-yl)phenyl]methyl})amine
• Synonyms: Methyl-(2-morpholin-4-yl-benzyl)-amine; N-methyl-N-(2-morpholin-4-ylbenzyl)amine

Database IDs

• MDL Number: MFCD07348563
• PubChem SID: 160994084
• PubChem CID: 7064030

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.7349696
• LogD (pH = 7.4): -0.5606543
• Log P: 1.421138
• Molar Refractivity: 62.8091 cm^3
• Polarizability: 24.008932 Å^3
• Polar Surface Area: 24.5 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 230 - 232°C
• Hydrophobicity(logP): 1.33

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%