methyl[2-(morpholin-4-yl)-1-phenylethyl]amine

• ChemBase ID: 30653
• Molecular Formular: C13H20N2O
• Molecular Mass: 220.3107
• Monoisotopic Mass: 220.15756327
• SMILES: N1(CC(c2ccccc2)NC)CCOCC1
• Canonical SMILES: CNC(c1ccccc1)CN1CCOCC1
• InChI: InChI=1S/C13H20N2O/c1-14-13(12-5-3-2-4-6-12)11-15-7-9-16-10-8-15/h2-6,13-14H,7-11H2,1H3
• InChIKey: FMZRRIHWLOAPQX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl[2-(morpholin-4-yl)-1-phenylethyl]amine
• IUPAC Traditional name: methyl[2-(morpholin-4-yl)-1-phenylethyl]amine
• Synonyms: [2-(Morpholin-4-yl)-1-phenylethyl]methylamine; Methyl-(2-morpholin-4-yl-1-phenyl-ethyl)-amine

Database IDs

• CAS Number: 863204-01-7
• MDL Number: MFCD01862533
• PubChem SID: 160993960
• PubChem CID: 5153032

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.8066143
• LogD (pH = 7.4): -0.555785
• Log P: 1.3915058
• Molar Refractivity: 66.0698 cm^3
• Polarizability: 26.25096 Å^3
• Polar Surface Area: 24.5 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Corrosive; IRRITANT
• TSCA Listed: false