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

C13H13F3N2OS — CID 102719939

IUPACN-ethyl-6-(thiophen-2-ylmethoxy)-4-(trifluoromethyl)pyridin-2-amine
SMILESCCNc1cc(C(F)(F)F)cc(OCc2cccs2)n1
InChIInChI=1S/C13H13F3N2OS/c1-2-17-11-6-9(13(14,15)16)7-12(18-11)19-8-10-4-3-5-20-10/h3-7H,2,8H2,1H3,(H,17,18)
InChIKeyMFSPWIMSAOHMBD-UHFFFAOYSA-N
MW302.32 g/mol
LogP4.17
Rot. Bonds5

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

N-ethyl-6-(thiophen-2-ylmethoxy)-4-(trifluoromethyl)pyridin-2-amine (PubChem CID 102719939) has the molecular formula C13H13F3N2OS and a molecular weight of 302.32 g/mol. Its IUPAC name is N-ethyl-6-(thiophen-2-ylmethoxy)-4-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound NameN-ethyl-6-(thiophen-2-ylmethoxy)-4-(trifluoromethyl)pyridin-2-amine
PubChem CID102719939
Molecular FormulaC13H13F3N2OS
Molecular Weight302.32 g/mol
Exact Mass302.07
IUPAC NameN-ethyl-6-(thiophen-2-ylmethoxy)-4-(trifluoromethyl)pyridin-2-amine
SMILESCCNc1cc(C(F)(F)F)cc(OCc2cccs2)n1
InChIInChI=1S/C13H13F3N2OS/c1-2-17-11-6-9(13(14,15)16)7-12(18-11)19-8-10-4-3-5-20-10/h3-7H,2,8H2,1H3,(H,17,18)
InChIKeyMFSPWIMSAOHMBD-UHFFFAOYSA-N
XLogP4.17
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.32
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-6-(thiophen-2-ylmethoxy)-4-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of N-ethyl-6-(thiophen-2-ylmethoxy)-4-(trifluoromethyl)pyridin-2-amine (CID 102719939) is N-ethyl-6-(thiophen-2-ylmethoxy)-4-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for N-ethyl-6-(thiophen-2-ylmethoxy)-4-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for N-ethyl-6-(thiophen-2-ylmethoxy)-4-(trifluoromethyl)pyridin-2-amine is CCNc1cc(C(F)(F)F)cc(OCc2cccs2)n1.
What is the InChIKey of N-ethyl-6-(thiophen-2-ylmethoxy)-4-(trifluoromethyl)pyridin-2-amine?
The InChIKey is MFSPWIMSAOHMBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F3N2OS/c1-2-17-11-6-9(13(14,15)16)7-12(18-11)19-8-10-4-3-5-20-10/h3-7H,2,8H2,1H3,(H,17,18).
What are the key properties of N-ethyl-6-(thiophen-2-ylmethoxy)-4-(trifluoromethyl)pyridin-2-amine?
N-ethyl-6-(thiophen-2-ylmethoxy)-4-(trifluoromethyl)pyridin-2-amine has a molecular weight of 302.32 g/mol, XLogP of 4.17, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-6-(thiophen-2-ylmethoxy)-4-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 102719939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).