3-methoxy-2-methylpropan-1-amine

• ChemBase ID: 264464
• Molecular Formular: C5H13NO
• Molecular Mass: 103.16282
• Monoisotopic Mass: 103.09971404
• SMILES: NCC(COC)C
• Canonical SMILES: CC(CN)COC
• InChI: InChI=1S/C5H13NO/c1-5(3-6)4-7-2/h5H,3-4,6H2,1-2H3
• InChIKey: QKCOKEIMHOFEHO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-methoxy-2-methylpropan-1-amine
• IUPAC Traditional name: 3-methoxy-2-methylpropan-1-amine
• Synonyms: 3-methoxy-2-methylpropan-1-amine

Database IDs

• MDL Number: MFCD11653704
• PubChem SID: 164320374
• PubChem CID: 22052176

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -3.1561487
• LogD (pH = 7.4): -2.708479
• Log P: -0.13315107
• Molar Refractivity: 30.2441 cm^3
• Polarizability: 12.157154 Å^3
• Polar Surface Area: 35.25 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.194

Product Information

• Purity: 95%