(1-methoxypropan-2-yl)(methyl)amine

• ChemBase ID: 263718
• Molecular Formular: C5H13NO
• Molecular Mass: 103.16282
• Monoisotopic Mass: 103.09971404
• SMILES: N(C(COC)C)C
• Canonical SMILES: COCC(NC)C
• InChI: InChI=1S/C5H13NO/c1-5(6-2)4-7-3/h5-6H,4H2,1-3H3
• InChIKey: BIJHOXVSOJUIPD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (1-methoxypropan-2-yl)(methyl)amine
• IUPAC Traditional name: (1-methoxypropan-2-yl)(methyl)amine
• Synonyms: (1-methoxypropan-2-yl)(methyl)amine

Database IDs

• MDL Number: MFCD11151246
• PubChem SID: 164319628
• PubChem CID: 23090608

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -3.0268939
• LogD (pH = 7.4): -2.1454816
• Log P: 0.17672105
• Molar Refractivity: 30.1557 cm^3
• Polarizability: 12.157154 Å^3
• Polar Surface Area: 21.26 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.081

Product Information

• Purity: 95%