1-(5-ethylthiophen-2-yl)-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]ethanamine

C15H23F3N2S — CID 61335731

IUPAC1-(5-ethylthiophen-2-yl)-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]ethanamine
SMILESCCc1ccc(C(C)NCC2CCN(CC(F)(F)F)C2)s1
InChIInChI=1S/C15H23F3N2S/c1-3-13-4-5-14(21-13)11(2)19-8-12-6-7-20(9-12)10-15(16,17)18/h4-5,11-12,19H,3,6-10H2,1-2H3
InChIKeyPHKORHKIMGLCAZ-UHFFFAOYSA-N
MW320.42 g/mol
LogP3.85
Rot. Bonds6

About 1-(5-ethylthiophen-2-yl)-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]ethanamine

1-(5-ethylthiophen-2-yl)-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]ethanamine (PubChem CID 61335731) has the molecular formula C15H23F3N2S and a molecular weight of 320.42 g/mol. Its IUPAC name is 1-(5-ethylthiophen-2-yl)-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]ethanamine.

Molecular Properties

Compound Name1-(5-ethylthiophen-2-yl)-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]ethanamine
PubChem CID61335731
Molecular FormulaC15H23F3N2S
Molecular Weight320.42 g/mol
Exact Mass320.15
IUPAC Name1-(5-ethylthiophen-2-yl)-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]ethanamine
SMILESCCc1ccc(C(C)NCC2CCN(CC(F)(F)F)C2)s1
InChIInChI=1S/C15H23F3N2S/c1-3-13-4-5-14(21-13)11(2)19-8-12-6-7-20(9-12)10-15(16,17)18/h4-5,11-12,19H,3,6-10H2,1-2H3
InChIKeyPHKORHKIMGLCAZ-UHFFFAOYSA-N
XLogP3.85
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.42
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(5-ethylthiophen-2-yl)-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]ethanamine 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 1-(5-ethylthiophen-2-yl)-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]ethanamine?
The IUPAC name of 1-(5-ethylthiophen-2-yl)-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]ethanamine (CID 61335731) is 1-(5-ethylthiophen-2-yl)-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]ethanamine.
What is the SMILES notation for 1-(5-ethylthiophen-2-yl)-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]ethanamine?
The canonical SMILES for 1-(5-ethylthiophen-2-yl)-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]ethanamine is CCc1ccc(C(C)NCC2CCN(CC(F)(F)F)C2)s1.
What is the InChIKey of 1-(5-ethylthiophen-2-yl)-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]ethanamine?
The InChIKey is PHKORHKIMGLCAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23F3N2S/c1-3-13-4-5-14(21-13)11(2)19-8-12-6-7-20(9-12)10-15(16,17)18/h4-5,11-12,19H,3,6-10H2,1-2H3.
What are the key properties of 1-(5-ethylthiophen-2-yl)-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]ethanamine?
1-(5-ethylthiophen-2-yl)-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]ethanamine has a molecular weight of 320.42 g/mol, XLogP of 3.85, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-ethylthiophen-2-yl)-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]ethanamine is sourced from PubChem (CID 61335731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).