2-[[4-methyl-3-(trifluoromethyl)anilino]methyl]thiophen-3-amine

C13H13F3N2S — CID 66387792

IUPAC2-[[4-methyl-3-(trifluoromethyl)anilino]methyl]thiophen-3-amine
SMILESCc1ccc(NCc2sccc2N)cc1C(F)(F)F
InChIInChI=1S/C13H13F3N2S/c1-8-2-3-9(6-10(8)13(14,15)16)18-7-12-11(17)4-5-19-12/h2-6,18H,7,17H2,1H3
InChIKeyAIYUPWJKIQACPB-UHFFFAOYSA-N
MW286.32 g/mol
LogP4.27
Rot. Bonds3

About 2-[[4-methyl-3-(trifluoromethyl)anilino]methyl]thiophen-3-amine

2-[[4-methyl-3-(trifluoromethyl)anilino]methyl]thiophen-3-amine (PubChem CID 66387792) has the molecular formula C13H13F3N2S and a molecular weight of 286.32 g/mol. Its IUPAC name is 2-[[4-methyl-3-(trifluoromethyl)anilino]methyl]thiophen-3-amine.

Molecular Properties

Compound Name2-[[4-methyl-3-(trifluoromethyl)anilino]methyl]thiophen-3-amine
PubChem CID66387792
Molecular FormulaC13H13F3N2S
Molecular Weight286.32 g/mol
Exact Mass286.08
IUPAC Name2-[[4-methyl-3-(trifluoromethyl)anilino]methyl]thiophen-3-amine
SMILESCc1ccc(NCc2sccc2N)cc1C(F)(F)F
InChIInChI=1S/C13H13F3N2S/c1-8-2-3-9(6-10(8)13(14,15)16)18-7-12-11(17)4-5-19-12/h2-6,18H,7,17H2,1H3
InChIKeyAIYUPWJKIQACPB-UHFFFAOYSA-N
XLogP4.27
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.32
LogP ≤ 54.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-methyl-3-(trifluoromethyl)anilino]methyl]thiophen-3-amine?
The IUPAC name of 2-[[4-methyl-3-(trifluoromethyl)anilino]methyl]thiophen-3-amine (CID 66387792) is 2-[[4-methyl-3-(trifluoromethyl)anilino]methyl]thiophen-3-amine.
What is the SMILES notation for 2-[[4-methyl-3-(trifluoromethyl)anilino]methyl]thiophen-3-amine?
The canonical SMILES for 2-[[4-methyl-3-(trifluoromethyl)anilino]methyl]thiophen-3-amine is Cc1ccc(NCc2sccc2N)cc1C(F)(F)F.
What is the InChIKey of 2-[[4-methyl-3-(trifluoromethyl)anilino]methyl]thiophen-3-amine?
The InChIKey is AIYUPWJKIQACPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F3N2S/c1-8-2-3-9(6-10(8)13(14,15)16)18-7-12-11(17)4-5-19-12/h2-6,18H,7,17H2,1H3.
What are the key properties of 2-[[4-methyl-3-(trifluoromethyl)anilino]methyl]thiophen-3-amine?
2-[[4-methyl-3-(trifluoromethyl)anilino]methyl]thiophen-3-amine has a molecular weight of 286.32 g/mol, XLogP of 4.27, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-methyl-3-(trifluoromethyl)anilino]methyl]thiophen-3-amine is sourced from PubChem (CID 66387792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).