2,2,2-trifluoro-N-methyl-1-pyridin-3-ylethanamine

C8H9F3N2 — CID 55273393

IUPAC2,2,2-trifluoro-N-methyl-1-pyridin-3-ylethanamine
SMILESCNC(c1cccnc1)C(F)(F)F
InChIInChI=1S/C8H9F3N2/c1-12-7(8(9,10)11)6-3-2-4-13-5-6/h2-5,7,12H,1H3
InChIKeyQLPVLKMTKWNFHV-UHFFFAOYSA-N
MW190.17 g/mol
LogP1.90
Rot. Bonds2

About 2,2,2-trifluoro-N-methyl-1-pyridin-3-ylethanamine

2,2,2-trifluoro-N-methyl-1-pyridin-3-ylethanamine (PubChem CID 55273393) has the molecular formula C8H9F3N2 and a molecular weight of 190.17 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-methyl-1-pyridin-3-ylethanamine.

Molecular Properties

Compound Name2,2,2-trifluoro-N-methyl-1-pyridin-3-ylethanamine
PubChem CID55273393
Molecular FormulaC8H9F3N2
Molecular Weight190.17 g/mol
Exact Mass190.07
IUPAC Name2,2,2-trifluoro-N-methyl-1-pyridin-3-ylethanamine
SMILESCNC(c1cccnc1)C(F)(F)F
InChIInChI=1S/C8H9F3N2/c1-12-7(8(9,10)11)6-3-2-4-13-5-6/h2-5,7,12H,1H3
InChIKeyQLPVLKMTKWNFHV-UHFFFAOYSA-N
XLogP1.90
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.17
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1R)-2,2,2-trifluoro-1-pyridin-3-ylethyl]hydroxylamine
CID 131036778
1-N,2-N,2-N,2-tetramethyl-1-pyridin-3-ylpropane-1,2-diamine
CID 79053395
2-methyl-N-[(1S)-2,2,2-trifluoro-1-pyridin-3-ylethyl]propane-2-sulfinamide
CID 134988458
(1R)-N-methyl-1-pyridin-3-ylethanamine
CID 26248773
2,2,2-trifluoro-1-(5-fluoro-3-pyridinyl)-N-methylethanamine
CID 115805337
N,2-dimethyl-1-pyridin-3-ylpropan-1-amine
CID 50989033
5,5,5-trifluoro-N-methyl-1-pyridin-3-ylpentan-1-amine
CID 115516357
(1S)-2-fluoro-2-methyl-1-pyridin-3-ylpropan-1-ol
CID 124567765
1-hydrazinyl-N-methyl-1-pyridin-3-ylmethanamine
CID 116961823
(1R)-1-(4-fluorophenyl)-N-methyl-1-pyridin-3-ylmethanamine
CID 51693922
2,2,2-trifluoro-N-methyl-1-[4-(trifluoromethyl)-3-pyridinyl]ethanamine
CID 102709994
2,2,2-trifluoro-1-(5-methoxy-3-pyridinyl)-N-methylethanamine
CID 105026191

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-methyl-1-pyridin-3-ylethanamine?
The IUPAC name of 2,2,2-trifluoro-N-methyl-1-pyridin-3-ylethanamine (CID 55273393) is 2,2,2-trifluoro-N-methyl-1-pyridin-3-ylethanamine.
What is the SMILES notation for 2,2,2-trifluoro-N-methyl-1-pyridin-3-ylethanamine?
The canonical SMILES for 2,2,2-trifluoro-N-methyl-1-pyridin-3-ylethanamine is CNC(c1cccnc1)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-methyl-1-pyridin-3-ylethanamine?
The InChIKey is QLPVLKMTKWNFHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F3N2/c1-12-7(8(9,10)11)6-3-2-4-13-5-6/h2-5,7,12H,1H3.
What are the key properties of 2,2,2-trifluoro-N-methyl-1-pyridin-3-ylethanamine?
2,2,2-trifluoro-N-methyl-1-pyridin-3-ylethanamine has a molecular weight of 190.17 g/mol, XLogP of 1.90, 2 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-methyl-1-pyridin-3-ylethanamine is sourced from PubChem (CID 55273393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).