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

C15H21F3N2O — CID 102720007

IUPAC6-(3,4-dimethylcyclohexyl)oxy-N-methyl-4-(trifluoromethyl)pyridin-2-amine
SMILESCNc1cc(C(F)(F)F)cc(OC2CCC(C)C(C)C2)n1
InChIInChI=1S/C15H21F3N2O/c1-9-4-5-12(6-10(9)2)21-14-8-11(15(16,17)18)7-13(19-3)20-14/h7-10,12H,4-6H2,1-3H3,(H,19,20)
InChIKeyVKONCAXKCZSLHH-UHFFFAOYSA-N
MW302.34 g/mol
LogP4.35
Rot. Bonds3

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

6-(3,4-dimethylcyclohexyl)oxy-N-methyl-4-(trifluoromethyl)pyridin-2-amine (PubChem CID 102720007) has the molecular formula C15H21F3N2O and a molecular weight of 302.34 g/mol. Its IUPAC name is 6-(3,4-dimethylcyclohexyl)oxy-N-methyl-4-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound Name6-(3,4-dimethylcyclohexyl)oxy-N-methyl-4-(trifluoromethyl)pyridin-2-amine
PubChem CID102720007
Molecular FormulaC15H21F3N2O
Molecular Weight302.34 g/mol
Exact Mass302.16
IUPAC Name6-(3,4-dimethylcyclohexyl)oxy-N-methyl-4-(trifluoromethyl)pyridin-2-amine
SMILESCNc1cc(C(F)(F)F)cc(OC2CCC(C)C(C)C2)n1
InChIInChI=1S/C15H21F3N2O/c1-9-4-5-12(6-10(9)2)21-14-8-11(15(16,17)18)7-13(19-3)20-14/h7-10,12H,4-6H2,1-3H3,(H,19,20)
InChIKeyVKONCAXKCZSLHH-UHFFFAOYSA-N
XLogP4.35
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.34
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(3,4-dimethylcyclohexyl)oxy-N-methyl-4-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of 6-(3,4-dimethylcyclohexyl)oxy-N-methyl-4-(trifluoromethyl)pyridin-2-amine (CID 102720007) is 6-(3,4-dimethylcyclohexyl)oxy-N-methyl-4-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for 6-(3,4-dimethylcyclohexyl)oxy-N-methyl-4-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for 6-(3,4-dimethylcyclohexyl)oxy-N-methyl-4-(trifluoromethyl)pyridin-2-amine is CNc1cc(C(F)(F)F)cc(OC2CCC(C)C(C)C2)n1.
What is the InChIKey of 6-(3,4-dimethylcyclohexyl)oxy-N-methyl-4-(trifluoromethyl)pyridin-2-amine?
The InChIKey is VKONCAXKCZSLHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F3N2O/c1-9-4-5-12(6-10(9)2)21-14-8-11(15(16,17)18)7-13(19-3)20-14/h7-10,12H,4-6H2,1-3H3,(H,19,20).
What are the key properties of 6-(3,4-dimethylcyclohexyl)oxy-N-methyl-4-(trifluoromethyl)pyridin-2-amine?
6-(3,4-dimethylcyclohexyl)oxy-N-methyl-4-(trifluoromethyl)pyridin-2-amine has a molecular weight of 302.34 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 6-(3,4-dimethylcyclohexyl)oxy-N-methyl-4-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 102720007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).