N-ethyl-1-(5-ethylthiophen-2-yl)-2-(2,2,2-trifluoroethoxy)ethanamine

C12H18F3NOS — CID 103207286

IUPACN-ethyl-1-(5-ethylthiophen-2-yl)-2-(2,2,2-trifluoroethoxy)ethanamine
SMILESCCNC(COCC(F)(F)F)c1ccc(CC)s1
InChIInChI=1S/C12H18F3NOS/c1-3-9-5-6-11(18-9)10(16-4-2)7-17-8-12(13,14)15/h5-6,10,16H,3-4,7-8H2,1-2H3
InChIKeyPGNLOQVQVTYXGE-UHFFFAOYSA-N
MW281.34 g/mol
LogP3.54
Rot. Bonds7

About N-ethyl-1-(5-ethylthiophen-2-yl)-2-(2,2,2-trifluoroethoxy)ethanamine

N-ethyl-1-(5-ethylthiophen-2-yl)-2-(2,2,2-trifluoroethoxy)ethanamine (PubChem CID 103207286) has the molecular formula C12H18F3NOS and a molecular weight of 281.34 g/mol. Its IUPAC name is N-ethyl-1-(5-ethylthiophen-2-yl)-2-(2,2,2-trifluoroethoxy)ethanamine.

Molecular Properties

Compound NameN-ethyl-1-(5-ethylthiophen-2-yl)-2-(2,2,2-trifluoroethoxy)ethanamine
PubChem CID103207286
Molecular FormulaC12H18F3NOS
Molecular Weight281.34 g/mol
Exact Mass281.11
IUPAC NameN-ethyl-1-(5-ethylthiophen-2-yl)-2-(2,2,2-trifluoroethoxy)ethanamine
SMILESCCNC(COCC(F)(F)F)c1ccc(CC)s1
InChIInChI=1S/C12H18F3NOS/c1-3-9-5-6-11(18-9)10(16-4-2)7-17-8-12(13,14)15/h5-6,10,16H,3-4,7-8H2,1-2H3
InChIKeyPGNLOQVQVTYXGE-UHFFFAOYSA-N
XLogP3.54
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.34
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2,2-difluoroethoxy)-N-ethyl-1-(5-ethylthiophen-2-yl)propan-1-amine
CID 103207287
N-ethyl-1-(5-ethylthiophen-2-yl)ethane-1,2-diamine
CID 62344671
N-[1-(5-methylthiophen-2-yl)-2-(2,2,2-trifluoroethoxy)ethyl]propan-1-amine
CID 103207354
N-methyl-1-(5-methylthiophen-2-yl)-2-(2,2,2-trifluoroethoxy)ethanamine
CID 103207180
N-ethyl-2-(2,2,2-trifluoroethoxy)-1-(2,3,4-trifluorophenyl)ethanamine
CID 103215253
1-(2-bromo-4-methoxyphenyl)-N-ethyl-2-(2,2,2-trifluoroethoxy)ethanamine
CID 103207435
1-(2,5-dibromophenyl)-N-ethyl-2-(2,2,2-trifluoroethoxy)ethanamine
CID 103207295
N-ethyl-1-(5-ethylthiophen-2-yl)-2-(4-fluoro-2-methylphenyl)ethanamine
CID 105051139
2-(2,5-difluorophenyl)-N-ethyl-1-(5-ethylthiophen-2-yl)ethanamine
CID 115810060
N-ethyl-1-(5-ethylthiophen-2-yl)-2-(1-methoxycyclobutyl)ethanamine
CID 103556211
3-[1-(ethylamino)-2-(2,2,2-trifluoroethoxy)ethyl]-4-methylpyridin-2-amine
CID 103474599
1-(5-ethylthiophen-2-yl)-2-(2,2,2-trifluoroethoxy)ethanone
CID 43799450

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(5-ethylthiophen-2-yl)-2-(2,2,2-trifluoroethoxy)ethanamine?
The IUPAC name of N-ethyl-1-(5-ethylthiophen-2-yl)-2-(2,2,2-trifluoroethoxy)ethanamine (CID 103207286) is N-ethyl-1-(5-ethylthiophen-2-yl)-2-(2,2,2-trifluoroethoxy)ethanamine.
What is the SMILES notation for N-ethyl-1-(5-ethylthiophen-2-yl)-2-(2,2,2-trifluoroethoxy)ethanamine?
The canonical SMILES for N-ethyl-1-(5-ethylthiophen-2-yl)-2-(2,2,2-trifluoroethoxy)ethanamine is CCNC(COCC(F)(F)F)c1ccc(CC)s1.
What is the InChIKey of N-ethyl-1-(5-ethylthiophen-2-yl)-2-(2,2,2-trifluoroethoxy)ethanamine?
The InChIKey is PGNLOQVQVTYXGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F3NOS/c1-3-9-5-6-11(18-9)10(16-4-2)7-17-8-12(13,14)15/h5-6,10,16H,3-4,7-8H2,1-2H3.
What are the key properties of N-ethyl-1-(5-ethylthiophen-2-yl)-2-(2,2,2-trifluoroethoxy)ethanamine?
N-ethyl-1-(5-ethylthiophen-2-yl)-2-(2,2,2-trifluoroethoxy)ethanamine has a molecular weight of 281.34 g/mol, XLogP of 3.54, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(5-ethylthiophen-2-yl)-2-(2,2,2-trifluoroethoxy)ethanamine is sourced from PubChem (CID 103207286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).