N-propyl-6-(thiophen-2-ylmethoxy)-4-(trifluoromethyl)pyridin-2-amine

C14H15F3N2OS — CID 102719940

IUPACN-propyl-6-(thiophen-2-ylmethoxy)-4-(trifluoromethyl)pyridin-2-amine
SMILESCCCNc1cc(C(F)(F)F)cc(OCc2cccs2)n1
InChIInChI=1S/C14H15F3N2OS/c1-2-5-18-12-7-10(14(15,16)17)8-13(19-12)20-9-11-4-3-6-21-11/h3-4,6-8H,2,5,9H2,1H3,(H,18,19)
InChIKeyGDOAORHEDBQKJL-UHFFFAOYSA-N
MW316.35 g/mol
LogP4.56
Rot. Bonds6

About N-propyl-6-(thiophen-2-ylmethoxy)-4-(trifluoromethyl)pyridin-2-amine

N-propyl-6-(thiophen-2-ylmethoxy)-4-(trifluoromethyl)pyridin-2-amine (PubChem CID 102719940) has the molecular formula C14H15F3N2OS and a molecular weight of 316.35 g/mol. Its IUPAC name is N-propyl-6-(thiophen-2-ylmethoxy)-4-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound NameN-propyl-6-(thiophen-2-ylmethoxy)-4-(trifluoromethyl)pyridin-2-amine
PubChem CID102719940
Molecular FormulaC14H15F3N2OS
Molecular Weight316.35 g/mol
Exact Mass316.09
IUPAC NameN-propyl-6-(thiophen-2-ylmethoxy)-4-(trifluoromethyl)pyridin-2-amine
SMILESCCCNc1cc(C(F)(F)F)cc(OCc2cccs2)n1
InChIInChI=1S/C14H15F3N2OS/c1-2-5-18-12-7-10(14(15,16)17)8-13(19-12)20-9-11-4-3-6-21-11/h3-4,6-8H,2,5,9H2,1H3,(H,18,19)
InChIKeyGDOAORHEDBQKJL-UHFFFAOYSA-N
XLogP4.56
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.35
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-propyl-6-(thiophen-2-ylmethoxy)-4-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of N-propyl-6-(thiophen-2-ylmethoxy)-4-(trifluoromethyl)pyridin-2-amine (CID 102719940) is N-propyl-6-(thiophen-2-ylmethoxy)-4-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for N-propyl-6-(thiophen-2-ylmethoxy)-4-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for N-propyl-6-(thiophen-2-ylmethoxy)-4-(trifluoromethyl)pyridin-2-amine is CCCNc1cc(C(F)(F)F)cc(OCc2cccs2)n1.
What is the InChIKey of N-propyl-6-(thiophen-2-ylmethoxy)-4-(trifluoromethyl)pyridin-2-amine?
The InChIKey is GDOAORHEDBQKJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F3N2OS/c1-2-5-18-12-7-10(14(15,16)17)8-13(19-12)20-9-11-4-3-6-21-11/h3-4,6-8H,2,5,9H2,1H3,(H,18,19).
What are the key properties of N-propyl-6-(thiophen-2-ylmethoxy)-4-(trifluoromethyl)pyridin-2-amine?
N-propyl-6-(thiophen-2-ylmethoxy)-4-(trifluoromethyl)pyridin-2-amine has a molecular weight of 316.35 g/mol, XLogP of 4.56, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-6-(thiophen-2-ylmethoxy)-4-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 102719940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).