(2-methoxypropyl)(propan-2-yl)amine

• ChemBase ID: 278386
• Molecular Formular: C7H17NO
• Molecular Mass: 131.21598
• Monoisotopic Mass: 131.13101417
• SMILES: N(CC(OC)C)C(C)C
• Canonical SMILES: COC(CNC(C)C)C
• InChI: InChI=1S/C7H17NO/c1-6(2)8-5-7(3)9-4/h6-8H,5H2,1-4H3
• InChIKey: QGJWIEAVYWXIQC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2-methoxypropyl)(propan-2-yl)amine
• IUPAC Traditional name: isopropyl(2-methoxypropyl)amine
• Synonyms: (2-methoxypropyl)(propan-2-yl)amine

Database IDs

• MDL Number: MFCD16791471
• PubChem SID: 164334296
• PubChem CID: 54594872

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.2680802
• LogD (pH = 7.4): -1.5538986
• Log P: 0.950104
• Molar Refractivity: 39.3231 cm^3
• Polarizability: 15.844791 Å^3
• Polar Surface Area: 21.26 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.919

Product Information

• Purity: 95%