methyl[2-(propan-2-yloxy)ethyl]amine

• ChemBase ID: 238717
• Molecular Formular: C6H15NO
• Molecular Mass: 117.1894
• Monoisotopic Mass: 117.11536411
• SMILES: N(CCOC(C)C)C
• Canonical SMILES: CNCCOC(C)C
• InChI: InChI=1S/C6H15NO/c1-6(2)8-5-4-7-3/h6-7H,4-5H2,1-3H3
• InChIKey: RSOOVQCAMBUOOD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl[2-(propan-2-yloxy)ethyl]amine
• IUPAC Traditional name: (2-isopropoxyethyl)(methyl)amine
• Synonyms: methyl[2-(propan-2-yloxy)ethyl]amine

Database IDs

• MDL Number: MFCD14646149
• PubChem SID: 164294627
• PubChem CID: 21307263

CALCULATED PROPERTIES

• Lipinski's Rule of Five: true
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.661557
• LogD (pH = 7.4): -1.707653
• 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

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.47

Product Information

• Purity: 95%