1-(2-aminopropoxy)-4-methylbenzene

• ChemBase ID: 262347
• Molecular Formular: C10H15NO
• Molecular Mass: 165.2322
• Monoisotopic Mass: 165.11536411
• SMILES: O(c1ccc(cc1)C)CC(N)C
• Canonical SMILES: CC(COc1ccc(cc1)C)N
• InChI: InChI=1S/C10H15NO/c1-8-3-5-10(6-4-8)12-7-9(2)11/h3-6,9H,7,11H2,1-2H3
• InChIKey: IKSQZYUYDAEOEE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(2-aminopropoxy)-4-methylbenzene
• IUPAC Traditional name: 1-(2-aminopropoxy)-4-methylbenzene
• Synonyms: 1-(4-methylphenoxy)-2-propanamine; 1-(2-aminopropoxy)-4-methylbenzene

Database IDs

• CAS Number: 61711-87-3
• MDL Number: MFCD06248348
• PubChem SID: 164318257
• PubChem CID: 12812658

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.0417981
• LogD (pH = 7.4): -0.123022445
• Log P: 1.9485872
• Molar Refractivity: 49.931 cm^3
• Polarizability: 19.83718 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%