1-(2-aminopropoxy)-2-methoxybenzene

• ChemBase ID: 308040
• Molecular Formular: C10H15NO2
• Molecular Mass: 181.2316
• Monoisotopic Mass: 181.11027873
• SMILES: O(c1c(OC)cccc1)CC(N)C
• Canonical SMILES: COc1ccccc1OCC(N)C
• InChI: InChI=1S/C10H15NO2/c1-8(11)7-13-10-6-4-3-5-9(10)12-2/h3-6,8H,7,11H2,1-2H3
• InChIKey: SQKVVYGOXLSEKL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(2-aminopropoxy)-2-methoxybenzene
• IUPAC Traditional name: 1-(2-aminopropoxy)-2-methoxybenzene
• Synonyms: 1-(2-methoxyphenoxy)-2-propanamine

Database IDs

• CAS Number: 6505-08-4
• MDL Number: MFCD09262762

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.7128845
• LogD (pH = 7.4): -0.79405624
• Log P: 1.2774945
• Molar Refractivity: 51.353 cm^3
• Polarizability: 20.57371 Å^3
• Polar Surface Area: 44.48 Å^2