2-(difluoromethoxy)-5-(2-methylphenyl)aniline

C14H13F2NO — CID 82087082

IUPAC2-(difluoromethoxy)-5-(2-methylphenyl)aniline
SMILESCc1ccccc1-c1ccc(OC(F)F)c(N)c1
InChIInChI=1S/C14H13F2NO/c1-9-4-2-3-5-11(9)10-6-7-13(12(17)8-10)18-14(15)16/h2-8,14H,17H2,1H3
InChIKeyOWCNGAFHCHASLU-UHFFFAOYSA-N
MW249.26 g/mol
LogP3.85
Rot. Bonds3

About 2-(difluoromethoxy)-5-(2-methylphenyl)aniline

2-(difluoromethoxy)-5-(2-methylphenyl)aniline (PubChem CID 82087082) has the molecular formula C14H13F2NO and a molecular weight of 249.26 g/mol. Its IUPAC name is 2-(difluoromethoxy)-5-(2-methylphenyl)aniline.

Molecular Properties

Compound Name2-(difluoromethoxy)-5-(2-methylphenyl)aniline
PubChem CID82087082
Molecular FormulaC14H13F2NO
Molecular Weight249.26 g/mol
Exact Mass249.10
IUPAC Name2-(difluoromethoxy)-5-(2-methylphenyl)aniline
SMILESCc1ccccc1-c1ccc(OC(F)F)c(N)c1
InChIInChI=1S/C14H13F2NO/c1-9-4-2-3-5-11(9)10-6-7-13(12(17)8-10)18-14(15)16/h2-8,14H,17H2,1H3
InChIKeyOWCNGAFHCHASLU-UHFFFAOYSA-N
XLogP3.85
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.26
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethoxy)-5-(2-methylphenyl)aniline?
The IUPAC name of 2-(difluoromethoxy)-5-(2-methylphenyl)aniline (CID 82087082) is 2-(difluoromethoxy)-5-(2-methylphenyl)aniline.
What is the SMILES notation for 2-(difluoromethoxy)-5-(2-methylphenyl)aniline?
The canonical SMILES for 2-(difluoromethoxy)-5-(2-methylphenyl)aniline is Cc1ccccc1-c1ccc(OC(F)F)c(N)c1.
What is the InChIKey of 2-(difluoromethoxy)-5-(2-methylphenyl)aniline?
The InChIKey is OWCNGAFHCHASLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F2NO/c1-9-4-2-3-5-11(9)10-6-7-13(12(17)8-10)18-14(15)16/h2-8,14H,17H2,1H3.
What are the key properties of 2-(difluoromethoxy)-5-(2-methylphenyl)aniline?
2-(difluoromethoxy)-5-(2-methylphenyl)aniline has a molecular weight of 249.26 g/mol, XLogP of 3.85, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethoxy)-5-(2-methylphenyl)aniline is sourced from PubChem (CID 82087082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).