[1-(4-benzylmorpholin-2-yl)ethyl](methyl)amine

• ChemBase ID: 248287
• Molecular Formular: C14H22N2O
• Molecular Mass: 234.33728
• Monoisotopic Mass: 234.17321333
• SMILES: N1(CC(OCC1)C(NC)C)Cc1ccccc1
• Canonical SMILES: CNC(C1OCCN(C1)Cc1ccccc1)C
• InChI: InChI=1S/C14H22N2O/c1-12(15-2)14-11-16(8-9-17-14)10-13-6-4-3-5-7-13/h3-7,12,14-15H,8-11H2,1-2H3
• InChIKey: WZYNYEJNHUTUMN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [1-(4-benzylmorpholin-2-yl)ethyl](methyl)amine
• IUPAC Traditional name: [1-(4-benzylmorpholin-2-yl)ethyl](methyl)amine
• Synonyms: [1-(4-benzylmorpholin-2-yl)ethyl](methyl)amine

Database IDs

• PubChem SID: 164304197
• PubChem CID: 71758437

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -2.0958593
• LogD (pH = 7.4): -0.6054009
• Log P: 1.8080808
• Molar Refractivity: 70.4886 cm^3
• Polarizability: 28.097424 Å^3
• Polar Surface Area: 24.5 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.873

Product Information

• Purity: 95%