N-methyl-2-thiophen-2-yl-1-[4-(trifluoromethyl)-3-pyridinyl]ethanamine

C13H13F3N2S — CID 102708107

IUPACN-methyl-2-thiophen-2-yl-1-[4-(trifluoromethyl)-3-pyridinyl]ethanamine
SMILESCNC(Cc1cccs1)c1cnccc1C(F)(F)F
InChIInChI=1S/C13H13F3N2S/c1-17-12(7-9-3-2-6-19-9)10-8-18-5-4-11(10)13(14,15)16/h2-6,8,12,17H,7H2,1H3
InChIKeyKLKYFAXBDOJZST-UHFFFAOYSA-N
MW286.32 g/mol
LogP3.67
Rot. Bonds4

About N-methyl-2-thiophen-2-yl-1-[4-(trifluoromethyl)-3-pyridinyl]ethanamine

N-methyl-2-thiophen-2-yl-1-[4-(trifluoromethyl)-3-pyridinyl]ethanamine (PubChem CID 102708107) 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-[4-(trifluoromethyl)-3-pyridinyl]ethanamine.

Molecular Properties

Compound NameN-methyl-2-thiophen-2-yl-1-[4-(trifluoromethyl)-3-pyridinyl]ethanamine
PubChem CID102708107
Molecular FormulaC13H13F3N2S
Molecular Weight286.32 g/mol
Exact Mass286.08
IUPAC NameN-methyl-2-thiophen-2-yl-1-[4-(trifluoromethyl)-3-pyridinyl]ethanamine
SMILESCNC(Cc1cccs1)c1cnccc1C(F)(F)F
InChIInChI=1S/C13H13F3N2S/c1-17-12(7-9-3-2-6-19-9)10-8-18-5-4-11(10)13(14,15)16/h2-6,8,12,17H,7H2,1H3
InChIKeyKLKYFAXBDOJZST-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

N-methyl-1-[4-(trifluoromethyl)-3-pyridinyl]butan-1-amine
CID 102708033
N,3,4,4-tetramethyl-1-[4-(trifluoromethyl)-3-pyridinyl]pentan-1-amine
CID 102710096
N-methyl-3-pyridin-3-yl-1-[4-(trifluoromethyl)-3-pyridinyl]propan-1-amine
CID 102709971
N-methyl-2-thiophen-2-yl-1-[5-(trifluoromethyl)-2-pyridinyl]ethanamine
CID 105134087
N-methyl-2-phenylsulfanyl-1-[4-(trifluoromethyl)-3-pyridinyl]ethanamine
CID 102708230
N-methyl-2-thiophen-2-yl-1-[2-(trifluoromethoxy)phenyl]ethanamine
CID 62790932
1-(2-fluoro-3-methylphenyl)-N-methyl-2-thiophen-2-ylethanamine
CID 81477797
2,2,2-trifluoro-N-methyl-1-[4-(trifluoromethyl)-3-pyridinyl]ethanamine
CID 102709994
2,2-difluoro-N-methyl-1-[4-(trifluoromethyl)-3-pyridinyl]ethanamine
CID 103517276
N-methyl-1-(5-methyl-3-pyridinyl)-2-thiophen-2-ylethanamine
CID 115374448
N-methyl-1-(1-methylimidazol-4-yl)-2-thiophen-2-ylethanamine
CID 107974380
[2-methylsulfanyl-1-[4-(trifluoromethyl)-3-pyridinyl]ethyl]hydrazine
CID 102710309

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-thiophen-2-yl-1-[4-(trifluoromethyl)-3-pyridinyl]ethanamine?
The IUPAC name of N-methyl-2-thiophen-2-yl-1-[4-(trifluoromethyl)-3-pyridinyl]ethanamine (CID 102708107) is N-methyl-2-thiophen-2-yl-1-[4-(trifluoromethyl)-3-pyridinyl]ethanamine.
What is the SMILES notation for N-methyl-2-thiophen-2-yl-1-[4-(trifluoromethyl)-3-pyridinyl]ethanamine?
The canonical SMILES for N-methyl-2-thiophen-2-yl-1-[4-(trifluoromethyl)-3-pyridinyl]ethanamine is CNC(Cc1cccs1)c1cnccc1C(F)(F)F.
What is the InChIKey of N-methyl-2-thiophen-2-yl-1-[4-(trifluoromethyl)-3-pyridinyl]ethanamine?
The InChIKey is KLKYFAXBDOJZST-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F3N2S/c1-17-12(7-9-3-2-6-19-9)10-8-18-5-4-11(10)13(14,15)16/h2-6,8,12,17H,7H2,1H3.
What are the key properties of N-methyl-2-thiophen-2-yl-1-[4-(trifluoromethyl)-3-pyridinyl]ethanamine?
N-methyl-2-thiophen-2-yl-1-[4-(trifluoromethyl)-3-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-[4-(trifluoromethyl)-3-pyridinyl]ethanamine is sourced from PubChem (CID 102708107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).