N-(1-thiophen-2-ylethyl)-2-(2,2,2-trifluoroethoxy)aniline

C14H14F3NOS — CID 43689182

IUPACN-(1-thiophen-2-ylethyl)-2-(2,2,2-trifluoroethoxy)aniline
SMILESCC(Nc1ccccc1OCC(F)(F)F)c1cccs1
InChIInChI=1S/C14H14F3NOS/c1-10(13-7-4-8-20-13)18-11-5-2-3-6-12(11)19-9-14(15,16)17/h2-8,10,18H,9H2,1H3
InChIKeyFQBZSWJCGGGOGN-UHFFFAOYSA-N
MW301.33 g/mol
LogP4.86
Rot. Bonds5

About N-(1-thiophen-2-ylethyl)-2-(2,2,2-trifluoroethoxy)aniline

N-(1-thiophen-2-ylethyl)-2-(2,2,2-trifluoroethoxy)aniline (PubChem CID 43689182) has the molecular formula C14H14F3NOS and a molecular weight of 301.33 g/mol. Its IUPAC name is N-(1-thiophen-2-ylethyl)-2-(2,2,2-trifluoroethoxy)aniline.

Molecular Properties

Compound NameN-(1-thiophen-2-ylethyl)-2-(2,2,2-trifluoroethoxy)aniline
PubChem CID43689182
Molecular FormulaC14H14F3NOS
Molecular Weight301.33 g/mol
Exact Mass301.07
IUPAC NameN-(1-thiophen-2-ylethyl)-2-(2,2,2-trifluoroethoxy)aniline
SMILESCC(Nc1ccccc1OCC(F)(F)F)c1cccs1
InChIInChI=1S/C14H14F3NOS/c1-10(13-7-4-8-20-13)18-11-5-2-3-6-12(11)19-9-14(15,16)17/h2-8,10,18H,9H2,1H3
InChIKeyFQBZSWJCGGGOGN-UHFFFAOYSA-N
XLogP4.86
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.33
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(1-thiophen-2-ylethyl)-2-(2,2,2-trifluoroethoxy)aniline with MolForge

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

Launch Full Analysis

Related Compounds

2-propoxy-N-(1-thiophen-2-ylethyl)aniline
CID 43682309
N-[1-(5-bromofuran-2-yl)ethyl]-2-(2,2,2-trifluoroethoxy)aniline
CID 104652406
methyl 2-[2-(2,2,2-trifluoroethoxy)anilino]propanoate
CID 66174109
2-tert-butyl-N-(1-thiophen-2-ylethyl)aniline
CID 43682936
N-(dicyclopropylmethyl)-2-(2,2,2-trifluoroethoxy)aniline
CID 43689188
2-N-(1-thiophen-2-ylethyl)benzene-1,2-diamine
CID 43534396
2-(2-acetamidophenoxy)-N-(1-thiophen-2-ylethyl)acetamide
CID 17401958
2-methoxy-N-(1-thiophen-2-ylethyl)pyridin-3-amine
CID 43721891
N-(1,3-thiazol-2-ylmethyl)-2-(2,2,2-trifluoroethoxy)aniline
CID 63654995
2-methoxy-N-[2-(2,2,2-trifluoroethoxy)phenyl]propanamide
CID 112685720
1-thiophen-2-yl-N-(2,2,2-trifluoroethoxy)propan-1-amine
CID 82710634
N-[2-(2-tert-butylphenoxy)ethyl]-1-thiophen-2-ylethanamine
CID 63504424

Frequently Asked Questions

What is the IUPAC name of N-(1-thiophen-2-ylethyl)-2-(2,2,2-trifluoroethoxy)aniline?
The IUPAC name of N-(1-thiophen-2-ylethyl)-2-(2,2,2-trifluoroethoxy)aniline (CID 43689182) is N-(1-thiophen-2-ylethyl)-2-(2,2,2-trifluoroethoxy)aniline.
What is the SMILES notation for N-(1-thiophen-2-ylethyl)-2-(2,2,2-trifluoroethoxy)aniline?
The canonical SMILES for N-(1-thiophen-2-ylethyl)-2-(2,2,2-trifluoroethoxy)aniline is CC(Nc1ccccc1OCC(F)(F)F)c1cccs1.
What is the InChIKey of N-(1-thiophen-2-ylethyl)-2-(2,2,2-trifluoroethoxy)aniline?
The InChIKey is FQBZSWJCGGGOGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F3NOS/c1-10(13-7-4-8-20-13)18-11-5-2-3-6-12(11)19-9-14(15,16)17/h2-8,10,18H,9H2,1H3.
What are the key properties of N-(1-thiophen-2-ylethyl)-2-(2,2,2-trifluoroethoxy)aniline?
N-(1-thiophen-2-ylethyl)-2-(2,2,2-trifluoroethoxy)aniline has a molecular weight of 301.33 g/mol, XLogP of 4.86, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-thiophen-2-ylethyl)-2-(2,2,2-trifluoroethoxy)aniline is sourced from PubChem (CID 43689182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).