1-(2-aminopropoxy)-2-methylbenzene

• ChemBase ID: 262690
• Molecular Formular: C10H15NO
• Molecular Mass: 165.2322
• Monoisotopic Mass: 165.11536411
• SMILES: O(c1c(C)cccc1)CC(N)C
• Canonical SMILES: CC(COc1ccccc1C)N
• InChI: InChI=1S/C10H15NO/c1-8-5-3-4-6-10(8)12-7-9(2)11/h3-6,9H,7,11H2,1-2H3
• InChIKey: AUWZEXMVEMHCAL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(2-aminopropoxy)-2-methylbenzene
• IUPAC Traditional name: 1-(2-aminopropoxy)-2-methylbenzene
• Synonyms: 1-(2-aminopropoxy)-2-methylbenzene; 1-(2-methylphenoxy)-2-propanamine

Database IDs

• CAS Number: 59722-22-4
• MDL Number: MFCD06248346
• PubChem SID: 164318600
• PubChem CID: 12812657

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.0417975
• LogD (pH = 7.4): -0.12301631
• Log P: 1.9485872
• Molar Refractivity: 49.931 cm^3
• Polarizability: 19.838728 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%