N-methyl-2-thiophen-2-yl-1-[5-(trifluoromethyl)-2-pyridinyl]ethanamine

C13H13F3N2S — CID 105134087

IUPACN-methyl-2-thiophen-2-yl-1-[5-(trifluoromethyl)-2-pyridinyl]ethanamine
SMILESCNC(Cc1cccs1)c1ccc(C(F)(F)F)cn1
InChIInChI=1S/C13H13F3N2S/c1-17-12(7-10-3-2-6-19-10)11-5-4-9(8-18-11)13(14,15)16/h2-6,8,12,17H,7H2,1H3
InChIKeyQPEGFIGHNMNJPT-UHFFFAOYSA-N
MW286.32 g/mol
LogP3.67
Rot. Bonds4

About N-methyl-2-thiophen-2-yl-1-[5-(trifluoromethyl)-2-pyridinyl]ethanamine

N-methyl-2-thiophen-2-yl-1-[5-(trifluoromethyl)-2-pyridinyl]ethanamine (PubChem CID 105134087) has the molecular formula C13H13F3N2S and a molecular weight of 286.32 g/mol. Its IUPAC name is N-methyl-2-thiophen-2-yl-1-[5-(trifluoromethyl)-2-pyridinyl]ethanamine.

Molecular Properties

Compound NameN-methyl-2-thiophen-2-yl-1-[5-(trifluoromethyl)-2-pyridinyl]ethanamine
PubChem CID105134087
Molecular FormulaC13H13F3N2S
Molecular Weight286.32 g/mol
Exact Mass286.08
IUPAC NameN-methyl-2-thiophen-2-yl-1-[5-(trifluoromethyl)-2-pyridinyl]ethanamine
SMILESCNC(Cc1cccs1)c1ccc(C(F)(F)F)cn1
InChIInChI=1S/C13H13F3N2S/c1-17-12(7-10-3-2-6-19-10)11-5-4-9(8-18-11)13(14,15)16/h2-6,8,12,17H,7H2,1H3
InChIKeyQPEGFIGHNMNJPT-UHFFFAOYSA-N
XLogP3.67
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.32
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(furan-2-yl)-N-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]ethanamine
CID 105177292
4,4,4-trifluoro-N-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]butan-1-amine
CID 105156292
N-[thiophen-2-yl-[5-(trifluoromethyl)-2-pyridinyl]methyl]ethanamine
CID 105100554
N-[1-(5-fluoro-2-pyridinyl)-2-thiophen-2-ylethyl]propan-2-amine
CID 79712298
2-(3-chlorophenyl)-N-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]ethanamine
CID 105085844
N-methyl-1-(1-methylimidazol-4-yl)-2-thiophen-2-ylethanamine
CID 107974380
N-methyl-2-thiophen-2-yl-1-[4-(trifluoromethyl)-3-pyridinyl]ethanamine
CID 102708107
N-methyl-4-methylsulfonyl-1-[5-(trifluoromethyl)-2-pyridinyl]butan-1-amine
CID 105112912
N-methyl-1-(6-methyl-2-pyridinyl)-2-thiophen-2-ylethanamine
CID 63555608
N-ethyl-1-thiophen-2-yl-3-[4-(trifluoromethyl)phenyl]propan-2-amine
CID 62604911
N-methyl-2-(1,3-thiazol-5-yl)-1-[4-(trifluoromethyl)phenyl]ethanamine
CID 105030333
N-methyl-1-[5-(thiophen-2-ylmethoxy)-2-pyridinyl]propan-1-amine
CID 112584876

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-thiophen-2-yl-1-[5-(trifluoromethyl)-2-pyridinyl]ethanamine?
The IUPAC name of N-methyl-2-thiophen-2-yl-1-[5-(trifluoromethyl)-2-pyridinyl]ethanamine (CID 105134087) is N-methyl-2-thiophen-2-yl-1-[5-(trifluoromethyl)-2-pyridinyl]ethanamine.
What is the SMILES notation for N-methyl-2-thiophen-2-yl-1-[5-(trifluoromethyl)-2-pyridinyl]ethanamine?
The canonical SMILES for N-methyl-2-thiophen-2-yl-1-[5-(trifluoromethyl)-2-pyridinyl]ethanamine is CNC(Cc1cccs1)c1ccc(C(F)(F)F)cn1.
What is the InChIKey of N-methyl-2-thiophen-2-yl-1-[5-(trifluoromethyl)-2-pyridinyl]ethanamine?
The InChIKey is QPEGFIGHNMNJPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F3N2S/c1-17-12(7-10-3-2-6-19-10)11-5-4-9(8-18-11)13(14,15)16/h2-6,8,12,17H,7H2,1H3.
What are the key properties of N-methyl-2-thiophen-2-yl-1-[5-(trifluoromethyl)-2-pyridinyl]ethanamine?
N-methyl-2-thiophen-2-yl-1-[5-(trifluoromethyl)-2-pyridinyl]ethanamine has a molecular weight of 286.32 g/mol, XLogP of 3.67, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-thiophen-2-yl-1-[5-(trifluoromethyl)-2-pyridinyl]ethanamine is sourced from PubChem (CID 105134087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).