2-[[3-(trifluoromethyl)-2-pyridinyl]oxy]ethanamine;hydrochloride

C8H10ClF3N2O — CID 71756841

IUPAC2-[[3-(trifluoromethyl)-2-pyridinyl]oxy]ethanamine;hydrochloride
SMILESCl.NCCOc1ncccc1C(F)(F)F
InChIInChI=1S/C8H9F3N2O.ClH/c9-8(10,11)6-2-1-4-13-7(6)14-5-3-12;/h1-2,4H,3,5,12H2;1H
InChIKeyWWTJBWRGRVEUBD-UHFFFAOYSA-N
MW242.63 g/mol
LogP1.86
Rot. Bonds3

About 2-[[3-(trifluoromethyl)-2-pyridinyl]oxy]ethanamine;hydrochloride

2-[[3-(trifluoromethyl)-2-pyridinyl]oxy]ethanamine;hydrochloride (PubChem CID 71756841) has the molecular formula C8H10ClF3N2O and a molecular weight of 242.63 g/mol. Its IUPAC name is 2-[[3-(trifluoromethyl)-2-pyridinyl]oxy]ethanamine;hydrochloride.

Molecular Properties

Compound Name2-[[3-(trifluoromethyl)-2-pyridinyl]oxy]ethanamine;hydrochloride
PubChem CID71756841
Molecular FormulaC8H10ClF3N2O
Molecular Weight242.63 g/mol
Exact Mass242.04
IUPAC Name2-[[3-(trifluoromethyl)-2-pyridinyl]oxy]ethanamine;hydrochloride
SMILESCl.NCCOc1ncccc1C(F)(F)F
InChIInChI=1S/C8H9F3N2O.ClH/c9-8(10,11)6-2-1-4-13-7(6)14-5-3-12;/h1-2,4H,3,5,12H2;1H
InChIKeyWWTJBWRGRVEUBD-UHFFFAOYSA-N
XLogP1.86
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.63
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

O-[3-(trifluoromethyl)-2-pyridinyl]hydroxylamine
CID 75176185
N-[2-(2-aminoethoxy)ethyl]-3-(trifluoromethyl)pyridin-2-amine
CID 55242565
1-[[3-(trifluoromethyl)-2-pyridinyl]oxymethyl]cyclopentan-1-amine
CID 64573971
6-chloro-N-[2-[[3-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]pyrazin-2-amine
CID 133398708
5-methyl-N-[2-[[3-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]pyrimidin-2-amine
CID 133423721
N'-[3-(trifluoromethyl)-2-pyridinyl]ethane-1,2-diamine
CID 23293787
3-[2-[[3-(trifluoromethyl)-2-pyridinyl]oxy]ethylcarbamoylamino]propanoic acid
CID 122007372
[2-methyl-1-[[3-(trifluoromethyl)-2-pyridinyl]oxy]propan-2-yl]urea
CID 75505421
2-[[5-bromo-3-(trifluoromethyl)-2-pyridinyl]oxy]ethanamine
CID 106796826
N-[3-(2-aminoethoxy)phenyl]-3-(trifluoromethyl)pyridin-2-amine
CID 63121097
2-fluoro-6-[2-[[3-(trifluoromethyl)-2-pyridinyl]oxy]ethylamino]benzonitrile
CID 133398730
2-butan-2-yloxy-3-(trifluoromethyl)pyridine
CID 150604612

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(trifluoromethyl)-2-pyridinyl]oxy]ethanamine;hydrochloride?
The IUPAC name of 2-[[3-(trifluoromethyl)-2-pyridinyl]oxy]ethanamine;hydrochloride (CID 71756841) is 2-[[3-(trifluoromethyl)-2-pyridinyl]oxy]ethanamine;hydrochloride.
What is the SMILES notation for 2-[[3-(trifluoromethyl)-2-pyridinyl]oxy]ethanamine;hydrochloride?
The canonical SMILES for 2-[[3-(trifluoromethyl)-2-pyridinyl]oxy]ethanamine;hydrochloride is Cl.NCCOc1ncccc1C(F)(F)F.
What is the InChIKey of 2-[[3-(trifluoromethyl)-2-pyridinyl]oxy]ethanamine;hydrochloride?
The InChIKey is WWTJBWRGRVEUBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F3N2O.ClH/c9-8(10,11)6-2-1-4-13-7(6)14-5-3-12;/h1-2,4H,3,5,12H2;1H.
What are the key properties of 2-[[3-(trifluoromethyl)-2-pyridinyl]oxy]ethanamine;hydrochloride?
2-[[3-(trifluoromethyl)-2-pyridinyl]oxy]ethanamine;hydrochloride has a molecular weight of 242.63 g/mol, XLogP of 1.86, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(trifluoromethyl)-2-pyridinyl]oxy]ethanamine;hydrochloride is sourced from PubChem (CID 71756841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).