4-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-2-(trifluoromethyl)aniline

C15H15F3N2O — CID 103174413

IUPAC4-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-2-(trifluoromethyl)aniline
SMILESCCc1nc(C)ccc1Oc1ccc(N)c(C(F)(F)F)c1
InChIInChI=1S/C15H15F3N2O/c1-3-13-14(7-4-9(2)20-13)21-10-5-6-12(19)11(8-10)15(16,17)18/h4-8H,3,19H2,1-2H3
InChIKeyTUVPIPMOSAMGKF-UHFFFAOYSA-N
MW296.29 g/mol
LogP4.35
Rot. Bonds3

About 4-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-2-(trifluoromethyl)aniline

4-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-2-(trifluoromethyl)aniline (PubChem CID 103174413) has the molecular formula C15H15F3N2O and a molecular weight of 296.29 g/mol. Its IUPAC name is 4-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-2-(trifluoromethyl)aniline.

Molecular Properties

Compound Name4-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-2-(trifluoromethyl)aniline
PubChem CID103174413
Molecular FormulaC15H15F3N2O
Molecular Weight296.29 g/mol
Exact Mass296.11
IUPAC Name4-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-2-(trifluoromethyl)aniline
SMILESCCc1nc(C)ccc1Oc1ccc(N)c(C(F)(F)F)c1
InChIInChI=1S/C15H15F3N2O/c1-3-13-14(7-4-9(2)20-13)21-10-5-6-12(19)11(8-10)15(16,17)18/h4-8H,3,19H2,1-2H3
InChIKeyTUVPIPMOSAMGKF-UHFFFAOYSA-N
XLogP4.35
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.29
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-amino-5-[(2-ethyl-6-methyl-3-pyridinyl)oxy]benzamide
CID 103175349
2-amino-4-[(2-ethyl-6-methyl-3-pyridinyl)oxy]benzonitrile
CID 103174342
4-(2,4-dimethylphenoxy)-2-(trifluoromethyl)aniline
CID 26189911
4-(2-methylsulfanylphenoxy)-2-(trifluoromethyl)aniline
CID 63648643
4-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-2-methylbenzonitrile
CID 103174716
4-(4-methylsulfanylphenoxy)-2-(trifluoromethyl)aniline
CID 63647439
3-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-5-propoxyaniline
CID 103174344
2-bromo-4-[(2-ethyl-6-methyl-3-pyridinyl)oxy]benzenecarbothioamide
CID 107278448
4-methoxy-2-(trifluoromethyl)aniline
CID 22601721
ethyl 4-[4-amino-3-(trifluoromethyl)phenoxy]-2-ethyl-1,3-thiazole-5-carboxylate
CID 15104324
4-amino-3-[(2-ethyl-6-methyl-3-pyridinyl)oxy]benzamide
CID 103174395
6-[(2-ethyl-6-methyl-3-pyridinyl)oxy]pyrimidine-2,4-diamine
CID 103176389

Frequently Asked Questions

What is the IUPAC name of 4-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-2-(trifluoromethyl)aniline?
The IUPAC name of 4-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-2-(trifluoromethyl)aniline (CID 103174413) is 4-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-2-(trifluoromethyl)aniline.
What is the SMILES notation for 4-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-2-(trifluoromethyl)aniline?
The canonical SMILES for 4-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-2-(trifluoromethyl)aniline is CCc1nc(C)ccc1Oc1ccc(N)c(C(F)(F)F)c1.
What is the InChIKey of 4-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-2-(trifluoromethyl)aniline?
The InChIKey is TUVPIPMOSAMGKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F3N2O/c1-3-13-14(7-4-9(2)20-13)21-10-5-6-12(19)11(8-10)15(16,17)18/h4-8H,3,19H2,1-2H3.
What are the key properties of 4-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-2-(trifluoromethyl)aniline?
4-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-2-(trifluoromethyl)aniline has a molecular weight of 296.29 g/mol, XLogP of 4.35, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-2-(trifluoromethyl)aniline is sourced from PubChem (CID 103174413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).