(2-methoxyethyl)(propan-2-yl)amine

• ChemBase ID: 18282
• Molecular Formular: C6H15NO
• Molecular Mass: 117.1894
• Monoisotopic Mass: 117.11536411
• SMILES: N(C(C)C)CCOC
• Canonical SMILES: COCCNC(C)C
• InChI: InChI=1S/C6H15NO/c1-6(2)7-4-5-8-3/h6-7H,4-5H2,1-3H3
• InChIKey: UMCVTLHNNUEZDO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2-methoxyethyl)(propan-2-yl)amine
• IUPAC Traditional name: isopropyl(2-methoxyethyl)amine
• Synonyms: Isopropyl-(2-methoxy-ethyl)-amine

Database IDs

• MDL Number: MFCD00144828
• PubChem SID: 160981589
• PubChem CID: 551575

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.6761024
• LogD (pH = 7.4): -1.8554425
• Log P: 0.533529
• Molar Refractivity: 34.9043 cm^3
• Polarizability: 14.000582 Å^3
• Polar Surface Area: 21.26 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false