2,2,2-trifluoro-N-(pyridin-4-ylmethyl)ethanamine

C8H9F3N2 — CID 24704089

IUPAC2,2,2-trifluoro-N-(pyridin-4-ylmethyl)ethanamine
SMILESFC(F)(F)CNCc1ccncc1
InChIInChI=1S/C8H9F3N2/c9-8(10,11)6-13-5-7-1-3-12-4-2-7/h1-4,13H,5-6H2
InChIKeySICQDCSSAFIXLG-UHFFFAOYSA-N
MW190.17 g/mol
LogP1.73
Rot. Bonds3

About 2,2,2-trifluoro-N-(pyridin-4-ylmethyl)ethanamine

2,2,2-trifluoro-N-(pyridin-4-ylmethyl)ethanamine (PubChem CID 24704089) has the molecular formula C8H9F3N2 and a molecular weight of 190.17 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-(pyridin-4-ylmethyl)ethanamine.

Molecular Properties

Compound Name2,2,2-trifluoro-N-(pyridin-4-ylmethyl)ethanamine
PubChem CID24704089
Molecular FormulaC8H9F3N2
Molecular Weight190.17 g/mol
Exact Mass190.07
IUPAC Name2,2,2-trifluoro-N-(pyridin-4-ylmethyl)ethanamine
SMILESFC(F)(F)CNCc1ccncc1
InChIInChI=1S/C8H9F3N2/c9-8(10,11)6-13-5-7-1-3-12-4-2-7/h1-4,13H,5-6H2
InChIKeySICQDCSSAFIXLG-UHFFFAOYSA-N
XLogP1.73
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.17
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[4-[(2,2,2-trifluoroethylamino)methyl]phenyl]methanol
CID 83962679
4-chloro-2,2-dimethyl-N-(pyridin-4-ylmethyl)butan-1-amine
CID 106140076
2,2-dimethyl-3-(pyridin-4-ylmethylamino)propanoic acid
CID 79628858
2-hydroxy-2-methyl-3-(pyridin-4-ylmethylamino)propanoic acid
CID 104643853
N,N'-bis(pyridin-4-ylmethyl)pentane-1,5-diamine
CID 101163000
molecular hydrogen;N-(pyridin-4-ylmethyl)ethanamine
CID 145190725
1-(4-bromophenyl)-N-(pyridin-4-ylmethyl)methanamine
CID 834417
N-methyl-N-(2-pyridin-4-ylethyl)-2-(2,2,2-trifluoroethylamino)acetamide
CID 78942343
2,2,2-trifluoro-N-[(4-pyrrolidin-1-ylphenyl)methyl]ethanamine
CID 43755063
N-[(4-bromothiophen-2-yl)methyl]-1-pyridin-4-ylmethanamine
CID 28833082
4,4,4-trifluoro-N-(pyridin-4-ylmethyl)butanamide
CID 154583502
1-pyridin-4-yl-N-(1,3-thiazol-5-ylmethyl)methanamine
CID 62758662

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-(pyridin-4-ylmethyl)ethanamine?
The IUPAC name of 2,2,2-trifluoro-N-(pyridin-4-ylmethyl)ethanamine (CID 24704089) is 2,2,2-trifluoro-N-(pyridin-4-ylmethyl)ethanamine.
What is the SMILES notation for 2,2,2-trifluoro-N-(pyridin-4-ylmethyl)ethanamine?
The canonical SMILES for 2,2,2-trifluoro-N-(pyridin-4-ylmethyl)ethanamine is FC(F)(F)CNCc1ccncc1.
What is the InChIKey of 2,2,2-trifluoro-N-(pyridin-4-ylmethyl)ethanamine?
The InChIKey is SICQDCSSAFIXLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F3N2/c9-8(10,11)6-13-5-7-1-3-12-4-2-7/h1-4,13H,5-6H2.
What are the key properties of 2,2,2-trifluoro-N-(pyridin-4-ylmethyl)ethanamine?
2,2,2-trifluoro-N-(pyridin-4-ylmethyl)ethanamine has a molecular weight of 190.17 g/mol, XLogP of 1.73, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-(pyridin-4-ylmethyl)ethanamine is sourced from PubChem (CID 24704089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).