2,5-dimethyl-4-[[6-(trifluoromethyl)-2-pyridinyl]oxy]aniline

C14H13F3N2O — CID 63181050

IUPAC2,5-dimethyl-4-[[6-(trifluoromethyl)-2-pyridinyl]oxy]aniline
SMILESCc1cc(Oc2cccc(C(F)(F)F)n2)c(C)cc1N
InChIInChI=1S/C14H13F3N2O/c1-8-7-11(9(2)6-10(8)18)20-13-5-3-4-12(19-13)14(15,16)17/h3-7H,18H2,1-2H3
InChIKeyIXSZBFODHPEMRN-UHFFFAOYSA-N
MW282.27 g/mol
LogP4.09
Rot. Bonds2

About 2,5-dimethyl-4-[[6-(trifluoromethyl)-2-pyridinyl]oxy]aniline

2,5-dimethyl-4-[[6-(trifluoromethyl)-2-pyridinyl]oxy]aniline (PubChem CID 63181050) has the molecular formula C14H13F3N2O and a molecular weight of 282.27 g/mol. Its IUPAC name is 2,5-dimethyl-4-[[6-(trifluoromethyl)-2-pyridinyl]oxy]aniline.

Molecular Properties

Compound Name2,5-dimethyl-4-[[6-(trifluoromethyl)-2-pyridinyl]oxy]aniline
PubChem CID63181050
Molecular FormulaC14H13F3N2O
Molecular Weight282.27 g/mol
Exact Mass282.10
IUPAC Name2,5-dimethyl-4-[[6-(trifluoromethyl)-2-pyridinyl]oxy]aniline
SMILESCc1cc(Oc2cccc(C(F)(F)F)n2)c(C)cc1N
InChIInChI=1S/C14H13F3N2O/c1-8-7-11(9(2)6-10(8)18)20-13-5-3-4-12(19-13)14(15,16)17/h3-7H,18H2,1-2H3
InChIKeyIXSZBFODHPEMRN-UHFFFAOYSA-N
XLogP4.09
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.27
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-4-[[6-(trifluoromethyl)-2-pyridinyl]oxy]aniline?
The IUPAC name of 2,5-dimethyl-4-[[6-(trifluoromethyl)-2-pyridinyl]oxy]aniline (CID 63181050) is 2,5-dimethyl-4-[[6-(trifluoromethyl)-2-pyridinyl]oxy]aniline.
What is the SMILES notation for 2,5-dimethyl-4-[[6-(trifluoromethyl)-2-pyridinyl]oxy]aniline?
The canonical SMILES for 2,5-dimethyl-4-[[6-(trifluoromethyl)-2-pyridinyl]oxy]aniline is Cc1cc(Oc2cccc(C(F)(F)F)n2)c(C)cc1N.
What is the InChIKey of 2,5-dimethyl-4-[[6-(trifluoromethyl)-2-pyridinyl]oxy]aniline?
The InChIKey is IXSZBFODHPEMRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F3N2O/c1-8-7-11(9(2)6-10(8)18)20-13-5-3-4-12(19-13)14(15,16)17/h3-7H,18H2,1-2H3.
What are the key properties of 2,5-dimethyl-4-[[6-(trifluoromethyl)-2-pyridinyl]oxy]aniline?
2,5-dimethyl-4-[[6-(trifluoromethyl)-2-pyridinyl]oxy]aniline has a molecular weight of 282.27 g/mol, XLogP of 4.09, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-4-[[6-(trifluoromethyl)-2-pyridinyl]oxy]aniline is sourced from PubChem (CID 63181050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).