[2-(4-ethylmorpholin-2-yl)ethyl](methyl)amine

• ChemBase ID: 58126
• Molecular Formular: C9H20N2O
• Molecular Mass: 172.2679
• Monoisotopic Mass: 172.15756327
• SMILES: C1COC(CN1CC)CCNC
• Canonical SMILES: CNCCC1OCCN(C1)CC
• InChI: InChI=1S/C9H20N2O/c1-3-11-6-7-12-9(8-11)4-5-10-2/h9-10H,3-8H2,1-2H3
• InChIKey: CNPAEAMYBMQROY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [2-(4-ethylmorpholin-2-yl)ethyl](methyl)amine
• IUPAC Traditional name: [2-(4-ethylmorpholin-2-yl)ethyl](methyl)amine
• Synonyms: [2-(4-Ethylmorpholin-2-yl)ethyl]methylamine

Database IDs

• MDL Number: MFCD15146416
• PubChem SID: 162062889
• PubChem CID: 46318287

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -5.347919
• LogD (pH = 7.4): -3.1442003
• Log P: 0.08380036
• Molar Refractivity: 51.0712 cm^3
• Polarizability: 20.324642 Å^3
• Polar Surface Area: 24.5 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false