4-methyl-2-propoxyaniline

• ChemBase ID: 260511
• Molecular Formular: C10H15NO
• Molecular Mass: 165.2322
• Monoisotopic Mass: 165.11536411
• SMILES: c1(c(ccc(c1)C)N)OCCC
• Canonical SMILES: CCCOc1cc(C)ccc1N
• InChI: InChI=1S/C10H15NO/c1-3-6-12-10-7-8(2)4-5-9(10)11/h4-5,7H,3,6,11H2,1-2H3
• InChIKey: VMVPRSFHXUPUEM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-methyl-2-propoxyaniline
• IUPAC Traditional name: 4-methyl-2-propoxyaniline
• Synonyms: 4-methyl-2-propoxyaniline

Database IDs

• CAS Number: 640767-75-5
• MDL Number: MFCD08688376
• PubChem SID: 164316421
• PubChem CID: 24698653

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.2942185
• LogD (pH = 7.4): 2.3782158
• Log P: 2.3794003
• Molar Refractivity: 51.5354 cm^3
• Polarizability: 19.441175 Å^3
• Polar Surface Area: 35.25 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.741

Product Information

• Purity: 95%