2-butoxy-5-methoxyaniline

• ChemBase ID: 257137
• Molecular Formular: C11H17NO2
• Molecular Mass: 195.25818
• Monoisotopic Mass: 195.12592879
• SMILES: c1(cc(ccc1OCCCC)OC)N
• Canonical SMILES: CCCCOc1ccc(cc1N)OC
• InChI: InChI=1S/C11H17NO2/c1-3-4-7-14-11-6-5-9(13-2)8-10(11)12/h5-6,8H,3-4,7,12H2,1-2H3
• InChIKey: YNGOMJFBCQFZAQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-butoxy-5-methoxyaniline
• IUPAC Traditional name: 2-butoxy-5-methoxyaniline
• Synonyms: 2-butoxy-5-methoxyaniline

Database IDs

• MDL Number: MFCD09734725
• PubChem SID: 164313047
• PubChem CID: 16787955

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 2.141329
• LogD (pH = 7.4): 2.152729
• Log P: 2.1528764
• Molar Refractivity: 57.5584 cm^3
• Polarizability: 22.026957 Å^3
• Polar Surface Area: 44.48 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.708

Product Information

• Purity: 95%