6-(trifluoromethyl)-4-(2,3,6-trimethylphenoxy)pyridin-3-amine

C15H15F3N2O — CID 106748387

IUPAC6-(trifluoromethyl)-4-(2,3,6-trimethylphenoxy)pyridin-3-amine
SMILESCc1ccc(C)c(Oc2cc(C(F)(F)F)ncc2N)c1C
InChIInChI=1S/C15H15F3N2O/c1-8-4-5-9(2)14(10(8)3)21-12-6-13(15(16,17)18)20-7-11(12)19/h4-7H,19H2,1-3H3
InChIKeyAAEVNSXZXZHVFY-UHFFFAOYSA-N
MW296.29 g/mol
LogP4.40
Rot. Bonds2

About 6-(trifluoromethyl)-4-(2,3,6-trimethylphenoxy)pyridin-3-amine

6-(trifluoromethyl)-4-(2,3,6-trimethylphenoxy)pyridin-3-amine (PubChem CID 106748387) has the molecular formula C15H15F3N2O and a molecular weight of 296.29 g/mol. Its IUPAC name is 6-(trifluoromethyl)-4-(2,3,6-trimethylphenoxy)pyridin-3-amine.

Molecular Properties

Compound Name6-(trifluoromethyl)-4-(2,3,6-trimethylphenoxy)pyridin-3-amine
PubChem CID106748387
Molecular FormulaC15H15F3N2O
Molecular Weight296.29 g/mol
Exact Mass296.11
IUPAC Name6-(trifluoromethyl)-4-(2,3,6-trimethylphenoxy)pyridin-3-amine
SMILESCc1ccc(C)c(Oc2cc(C(F)(F)F)ncc2N)c1C
InChIInChI=1S/C15H15F3N2O/c1-8-4-5-9(2)14(10(8)3)21-12-6-13(15(16,17)18)20-7-11(12)19/h4-7H,19H2,1-3H3
InChIKeyAAEVNSXZXZHVFY-UHFFFAOYSA-N
XLogP4.40
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.29
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(trifluoromethyl)-4-(2,3,6-trimethylphenoxy)pyridin-3-amine?
The IUPAC name of 6-(trifluoromethyl)-4-(2,3,6-trimethylphenoxy)pyridin-3-amine (CID 106748387) is 6-(trifluoromethyl)-4-(2,3,6-trimethylphenoxy)pyridin-3-amine.
What is the SMILES notation for 6-(trifluoromethyl)-4-(2,3,6-trimethylphenoxy)pyridin-3-amine?
The canonical SMILES for 6-(trifluoromethyl)-4-(2,3,6-trimethylphenoxy)pyridin-3-amine is Cc1ccc(C)c(Oc2cc(C(F)(F)F)ncc2N)c1C.
What is the InChIKey of 6-(trifluoromethyl)-4-(2,3,6-trimethylphenoxy)pyridin-3-amine?
The InChIKey is AAEVNSXZXZHVFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F3N2O/c1-8-4-5-9(2)14(10(8)3)21-12-6-13(15(16,17)18)20-7-11(12)19/h4-7H,19H2,1-3H3.
What are the key properties of 6-(trifluoromethyl)-4-(2,3,6-trimethylphenoxy)pyridin-3-amine?
6-(trifluoromethyl)-4-(2,3,6-trimethylphenoxy)pyridin-3-amine has a molecular weight of 296.29 g/mol, XLogP of 4.40, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(trifluoromethyl)-4-(2,3,6-trimethylphenoxy)pyridin-3-amine is sourced from PubChem (CID 106748387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).