2-(4-ethylcyclohexyl)oxy-N-methyl-6-(trifluoromethyl)pyridin-3-amine

C15H21F3N2O — CID 67441283

IUPAC2-(4-ethylcyclohexyl)oxy-N-methyl-6-(trifluoromethyl)pyridin-3-amine
SMILESCCC1CCC(Oc2nc(C(F)(F)F)ccc2NC)CC1
InChIInChI=1S/C15H21F3N2O/c1-3-10-4-6-11(7-5-10)21-14-12(19-2)8-9-13(20-14)15(16,17)18/h8-11,19H,3-7H2,1-2H3
InChIKeyVKLJHPFMNHGZDM-UHFFFAOYSA-N
MW302.34 g/mol
LogP4.49
Rot. Bonds4

About 2-(4-ethylcyclohexyl)oxy-N-methyl-6-(trifluoromethyl)pyridin-3-amine

2-(4-ethylcyclohexyl)oxy-N-methyl-6-(trifluoromethyl)pyridin-3-amine (PubChem CID 67441283) has the molecular formula C15H21F3N2O and a molecular weight of 302.34 g/mol. Its IUPAC name is 2-(4-ethylcyclohexyl)oxy-N-methyl-6-(trifluoromethyl)pyridin-3-amine.

Molecular Properties

Compound Name2-(4-ethylcyclohexyl)oxy-N-methyl-6-(trifluoromethyl)pyridin-3-amine
PubChem CID67441283
Molecular FormulaC15H21F3N2O
Molecular Weight302.34 g/mol
Exact Mass302.16
IUPAC Name2-(4-ethylcyclohexyl)oxy-N-methyl-6-(trifluoromethyl)pyridin-3-amine
SMILESCCC1CCC(Oc2nc(C(F)(F)F)ccc2NC)CC1
InChIInChI=1S/C15H21F3N2O/c1-3-10-4-6-11(7-5-10)21-14-12(19-2)8-9-13(20-14)15(16,17)18/h8-11,19H,3-7H2,1-2H3
InChIKeyVKLJHPFMNHGZDM-UHFFFAOYSA-N
XLogP4.49
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.34
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylcyclohexyl)oxy-N-methyl-6-(trifluoromethyl)pyridin-3-amine?
The IUPAC name of 2-(4-ethylcyclohexyl)oxy-N-methyl-6-(trifluoromethyl)pyridin-3-amine (CID 67441283) is 2-(4-ethylcyclohexyl)oxy-N-methyl-6-(trifluoromethyl)pyridin-3-amine.
What is the SMILES notation for 2-(4-ethylcyclohexyl)oxy-N-methyl-6-(trifluoromethyl)pyridin-3-amine?
The canonical SMILES for 2-(4-ethylcyclohexyl)oxy-N-methyl-6-(trifluoromethyl)pyridin-3-amine is CCC1CCC(Oc2nc(C(F)(F)F)ccc2NC)CC1.
What is the InChIKey of 2-(4-ethylcyclohexyl)oxy-N-methyl-6-(trifluoromethyl)pyridin-3-amine?
The InChIKey is VKLJHPFMNHGZDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F3N2O/c1-3-10-4-6-11(7-5-10)21-14-12(19-2)8-9-13(20-14)15(16,17)18/h8-11,19H,3-7H2,1-2H3.
What are the key properties of 2-(4-ethylcyclohexyl)oxy-N-methyl-6-(trifluoromethyl)pyridin-3-amine?
2-(4-ethylcyclohexyl)oxy-N-methyl-6-(trifluoromethyl)pyridin-3-amine has a molecular weight of 302.34 g/mol, XLogP of 4.49, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylcyclohexyl)oxy-N-methyl-6-(trifluoromethyl)pyridin-3-amine is sourced from PubChem (CID 67441283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).