1-[2-(trifluoromethyl)-3-pyridinyl]ethanamine

C8H9F3N2 — CID 55272660

IUPAC1-[2-(trifluoromethyl)-3-pyridinyl]ethanamine
SMILESCC(N)c1cccnc1C(F)(F)F
InChIInChI=1S/C8H9F3N2/c1-5(12)6-3-2-4-13-7(6)8(9,10)11/h2-5H,12H2,1H3
InChIKeyTUMNSQSQHYBWQW-UHFFFAOYSA-N
MW190.17 g/mol
LogP2.12
Rot. Bonds1

About 1-[2-(trifluoromethyl)-3-pyridinyl]ethanamine

1-[2-(trifluoromethyl)-3-pyridinyl]ethanamine (PubChem CID 55272660) has the molecular formula C8H9F3N2 and a molecular weight of 190.17 g/mol. Its IUPAC name is 1-[2-(trifluoromethyl)-3-pyridinyl]ethanamine.

Molecular Properties

Compound Name1-[2-(trifluoromethyl)-3-pyridinyl]ethanamine
PubChem CID55272660
Molecular FormulaC8H9F3N2
Molecular Weight190.17 g/mol
Exact Mass190.07
IUPAC Name1-[2-(trifluoromethyl)-3-pyridinyl]ethanamine
SMILESCC(N)c1cccnc1C(F)(F)F
InChIInChI=1S/C8H9F3N2/c1-5(12)6-3-2-4-13-7(6)8(9,10)11/h2-5H,12H2,1H3
InChIKeyTUMNSQSQHYBWQW-UHFFFAOYSA-N
XLogP2.12
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.17
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-1-(2-methyl-3-pyridinyl)ethanamine
CID 94864826
[3-[(1S)-1-aminoethyl]-2-pyridinyl]methanol
CID 130671700
(1R)-1-quinolin-5-ylethanamine
CID 55277010
(1S)-1-[3-(trifluoromethyl)-2-pyridinyl]ethanamine
CID 131017310
(1R)-1-[2-[4-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]ethanamine
CID 114056524
1-[2-(trifluoromethyl)-3-pyridinyl]propane-1,2,3-triol
CID 170818245
1-[3-(trifluoromethyl)-1,2-benzoxazol-7-yl]ethanamine
CID 105487507
1-[3-(1-aminoethyl)-2-pyridinyl]ethanol
CID 123838969
3-[(1S)-1-aminoethyl]-N-methylpyridin-2-amine
CID 130738864
ethyl 3,4-dihydroxy-4-[2-(trifluoromethyl)-3-pyridinyl]butanoate
CID 171897786
1-(2-ethynyl-3-pyridinyl)ethanamine
CID 74788747
2-[[3-(1-aminoethyl)-2-pyridinyl]-(2,2,2-trifluoroethyl)amino]ethanol
CID 114056489

Frequently Asked Questions

What is the IUPAC name of 1-[2-(trifluoromethyl)-3-pyridinyl]ethanamine?
The IUPAC name of 1-[2-(trifluoromethyl)-3-pyridinyl]ethanamine (CID 55272660) is 1-[2-(trifluoromethyl)-3-pyridinyl]ethanamine.
What is the SMILES notation for 1-[2-(trifluoromethyl)-3-pyridinyl]ethanamine?
The canonical SMILES for 1-[2-(trifluoromethyl)-3-pyridinyl]ethanamine is CC(N)c1cccnc1C(F)(F)F.
What is the InChIKey of 1-[2-(trifluoromethyl)-3-pyridinyl]ethanamine?
The InChIKey is TUMNSQSQHYBWQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F3N2/c1-5(12)6-3-2-4-13-7(6)8(9,10)11/h2-5H,12H2,1H3.
What are the key properties of 1-[2-(trifluoromethyl)-3-pyridinyl]ethanamine?
1-[2-(trifluoromethyl)-3-pyridinyl]ethanamine has a molecular weight of 190.17 g/mol, XLogP of 2.12, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(trifluoromethyl)-3-pyridinyl]ethanamine is sourced from PubChem (CID 55272660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).