N-methyl-6-(2-thiophen-2-ylethoxy)-4-(trifluoromethyl)pyridin-2-amine

C13H13F3N2OS — CID 102719944

IUPACN-methyl-6-(2-thiophen-2-ylethoxy)-4-(trifluoromethyl)pyridin-2-amine
SMILESCNc1cc(C(F)(F)F)cc(OCCc2cccs2)n1
InChIInChI=1S/C13H13F3N2OS/c1-17-11-7-9(13(14,15)16)8-12(18-11)19-5-4-10-3-2-6-20-10/h2-3,6-8H,4-5H2,1H3,(H,17,18)
InChIKeyQWTPLVLQKKOEMW-UHFFFAOYSA-N
MW302.32 g/mol
LogP3.83
Rot. Bonds5

About N-methyl-6-(2-thiophen-2-ylethoxy)-4-(trifluoromethyl)pyridin-2-amine

N-methyl-6-(2-thiophen-2-ylethoxy)-4-(trifluoromethyl)pyridin-2-amine (PubChem CID 102719944) has the molecular formula C13H13F3N2OS and a molecular weight of 302.32 g/mol. Its IUPAC name is N-methyl-6-(2-thiophen-2-ylethoxy)-4-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound NameN-methyl-6-(2-thiophen-2-ylethoxy)-4-(trifluoromethyl)pyridin-2-amine
PubChem CID102719944
Molecular FormulaC13H13F3N2OS
Molecular Weight302.32 g/mol
Exact Mass302.07
IUPAC NameN-methyl-6-(2-thiophen-2-ylethoxy)-4-(trifluoromethyl)pyridin-2-amine
SMILESCNc1cc(C(F)(F)F)cc(OCCc2cccs2)n1
InChIInChI=1S/C13H13F3N2OS/c1-17-11-7-9(13(14,15)16)8-12(18-11)19-5-4-10-3-2-6-20-10/h2-3,6-8H,4-5H2,1H3,(H,17,18)
InChIKeyQWTPLVLQKKOEMW-UHFFFAOYSA-N
XLogP3.83
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 ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-methyl-6-(2-thiophen-2-ylethoxy)-4-(trifluoromethyl)pyridin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-methyl-6-(2-thiophen-2-ylethoxy)-4-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of N-methyl-6-(2-thiophen-2-ylethoxy)-4-(trifluoromethyl)pyridin-2-amine (CID 102719944) is N-methyl-6-(2-thiophen-2-ylethoxy)-4-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for N-methyl-6-(2-thiophen-2-ylethoxy)-4-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for N-methyl-6-(2-thiophen-2-ylethoxy)-4-(trifluoromethyl)pyridin-2-amine is CNc1cc(C(F)(F)F)cc(OCCc2cccs2)n1.
What is the InChIKey of N-methyl-6-(2-thiophen-2-ylethoxy)-4-(trifluoromethyl)pyridin-2-amine?
The InChIKey is QWTPLVLQKKOEMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F3N2OS/c1-17-11-7-9(13(14,15)16)8-12(18-11)19-5-4-10-3-2-6-20-10/h2-3,6-8H,4-5H2,1H3,(H,17,18).
What are the key properties of N-methyl-6-(2-thiophen-2-ylethoxy)-4-(trifluoromethyl)pyridin-2-amine?
N-methyl-6-(2-thiophen-2-ylethoxy)-4-(trifluoromethyl)pyridin-2-amine has a molecular weight of 302.32 g/mol, XLogP of 3.83, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-6-(2-thiophen-2-ylethoxy)-4-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 102719944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).