1-[(1-aminopropan-2-yl)oxy]-2-methylbenzene

• ChemBase ID: 283307
• Molecular Formular: C10H15NO
• Molecular Mass: 165.2322
• Monoisotopic Mass: 165.11536411
• SMILES: c1(OC(CN)C)c(C)cccc1
• Canonical SMILES: NCC(Oc1ccccc1C)C
• InChI: InChI=1S/C10H15NO/c1-8-5-3-4-6-10(8)12-9(2)7-11/h3-6,9H,7,11H2,1-2H3
• InChIKey: BFLPIFRNTKGEIA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-[(1-aminopropan-2-yl)oxy]-2-methylbenzene
• IUPAC Traditional name: 1-[(1-aminopropan-2-yl)oxy]-2-methylbenzene
• Synonyms: 1-[(1-aminopropan-2-yl)oxy]-2-methylbenzene

Database IDs

• MDL Number: MFCD06248349
• PubChem SID: 180668838
• PubChem CID: 22688812

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.0195638
• LogD (pH = 7.4): 0.0511896
• Log P: 1.9485872
• Molar Refractivity: 49.931 cm^3
• Polarizability: 19.83858 Å^3
• Polar Surface Area: 35.25 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.07

Product Information

• Purity: 95%