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

C13H19F3N2S — CID 60855966

IUPAC1-thiophen-2-yl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]ethanamine
SMILESCC(NCC1CCN(CC(F)(F)F)C1)c1cccs1
InChIInChI=1S/C13H19F3N2S/c1-10(12-3-2-6-19-12)17-7-11-4-5-18(8-11)9-13(14,15)16/h2-3,6,10-11,17H,4-5,7-9H2,1H3
InChIKeyNLNIXGNCKTWBEY-UHFFFAOYSA-N
MW292.37 g/mol
LogP3.28
Rot. Bonds5

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

1-thiophen-2-yl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]ethanamine (PubChem CID 60855966) has the molecular formula C13H19F3N2S and a molecular weight of 292.37 g/mol. Its IUPAC name is 1-thiophen-2-yl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]ethanamine.

Molecular Properties

Compound Name1-thiophen-2-yl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]ethanamine
PubChem CID60855966
Molecular FormulaC13H19F3N2S
Molecular Weight292.37 g/mol
Exact Mass292.12
IUPAC Name1-thiophen-2-yl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]ethanamine
SMILESCC(NCC1CCN(CC(F)(F)F)C1)c1cccs1
InChIInChI=1S/C13H19F3N2S/c1-10(12-3-2-6-19-12)17-7-11-4-5-18(8-11)9-13(14,15)16/h2-3,6,10-11,17H,4-5,7-9H2,1H3
InChIKeyNLNIXGNCKTWBEY-UHFFFAOYSA-N
XLogP3.28
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.37
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-bromothiophen-2-yl)-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]ethanamine
CID 60856326
1-pyridin-3-yl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]ethanamine
CID 60855968
1-(2,5-dimethylthiophen-3-yl)-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]ethanamine
CID 60855461
N-[(1-ethylpyrrolidin-3-yl)methyl]-1-thiophen-2-ylpropan-1-amine
CID 60856851
1-(4-fluorophenyl)-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]propan-2-amine
CID 84588050
(2S)-1-(4-fluorophenyl)-N-[[(3S)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]propan-2-amine
CID 97230283
N-[2-[3-(methoxymethyl)pyrrolidin-1-yl]ethyl]-1-thiophen-2-ylethanamine
CID 64581411
2-methyl-1-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-3-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]guanidine;hydroiodide
CID 111284028
1-thiophen-2-yl-N-[2-[3-(trifluoromethyl)piperidin-1-yl]ethyl]ethanamine
CID 62573499
1-(2-methoxyphenyl)-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]propan-2-amine
CID 119165105
1-cyclohexyl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]ethanamine
CID 60856486
1-ethylsulfonyl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]propan-2-amine
CID 115900778

Frequently Asked Questions

What is the IUPAC name of 1-thiophen-2-yl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]ethanamine?
The IUPAC name of 1-thiophen-2-yl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]ethanamine (CID 60855966) is 1-thiophen-2-yl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]ethanamine.
What is the SMILES notation for 1-thiophen-2-yl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]ethanamine?
The canonical SMILES for 1-thiophen-2-yl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]ethanamine is CC(NCC1CCN(CC(F)(F)F)C1)c1cccs1.
What is the InChIKey of 1-thiophen-2-yl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]ethanamine?
The InChIKey is NLNIXGNCKTWBEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F3N2S/c1-10(12-3-2-6-19-12)17-7-11-4-5-18(8-11)9-13(14,15)16/h2-3,6,10-11,17H,4-5,7-9H2,1H3.
What are the key properties of 1-thiophen-2-yl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]ethanamine?
1-thiophen-2-yl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]ethanamine has a molecular weight of 292.37 g/mol, XLogP of 3.28, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-thiophen-2-yl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]ethanamine is sourced from PubChem (CID 60855966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).