3,5,6-trifluoro-N-(2-methoxyethyl)-N-pentan-3-ylpyridin-2-amine

C13H19F3N2O — CID 114072484

IUPAC3,5,6-trifluoro-N-(2-methoxyethyl)-N-pentan-3-ylpyridin-2-amine
SMILESCCC(CC)N(CCOC)c1nc(F)c(F)cc1F
InChIInChI=1S/C13H19F3N2O/c1-4-9(5-2)18(6-7-19-3)13-11(15)8-10(14)12(16)17-13/h8-9H,4-7H2,1-3H3
InChIKeySXKQAXUMFGDJGS-UHFFFAOYSA-N
MW276.30 g/mol
LogP3.14
Rot. Bonds7

About 3,5,6-trifluoro-N-(2-methoxyethyl)-N-pentan-3-ylpyridin-2-amine

3,5,6-trifluoro-N-(2-methoxyethyl)-N-pentan-3-ylpyridin-2-amine (PubChem CID 114072484) has the molecular formula C13H19F3N2O and a molecular weight of 276.30 g/mol. Its IUPAC name is 3,5,6-trifluoro-N-(2-methoxyethyl)-N-pentan-3-ylpyridin-2-amine.

Molecular Properties

Compound Name3,5,6-trifluoro-N-(2-methoxyethyl)-N-pentan-3-ylpyridin-2-amine
PubChem CID114072484
Molecular FormulaC13H19F3N2O
Molecular Weight276.30 g/mol
Exact Mass276.14
IUPAC Name3,5,6-trifluoro-N-(2-methoxyethyl)-N-pentan-3-ylpyridin-2-amine
SMILESCCC(CC)N(CCOC)c1nc(F)c(F)cc1F
InChIInChI=1S/C13H19F3N2O/c1-4-9(5-2)18(6-7-19-3)13-11(15)8-10(14)12(16)17-13/h8-9H,4-7H2,1-3H3
InChIKeySXKQAXUMFGDJGS-UHFFFAOYSA-N
XLogP3.14
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.30
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

6-N-butan-2-yl-3,5-difluoro-6-N-(2-methoxyethyl)pyridine-2,6-diamine
CID 114074357
6-fluoro-N-(2-methoxyethyl)-N-pentan-3-ylpyridin-2-amine
CID 55002889
5-(aminomethyl)-N-(2-methoxyethyl)-3-methyl-N-pentan-3-ylpyridin-2-amine
CID 80630796
3-[2-methoxyethyl(pentan-3-yl)amino]pyridazine-4-carbonitrile
CID 80510588
4-N-(2-methoxyethyl)-4-N-pentan-3-ylpyrimidine-2,4,6-triamine
CID 80821328
(1S)-1-[3-fluoro-4-[2-methoxyethyl(pentan-3-yl)amino]phenyl]ethanol
CID 78940650
3-(aminomethyl)-N-(2-methoxyethyl)-2,6-dimethyl-N-pentan-3-ylpyridin-4-amine
CID 81050384
5-chloro-4-N-(2-methoxyethyl)-2-N-methyl-4-N-pentan-3-ylpyrimidine-2,4-diamine
CID 80821249
3-[2-methoxyethyl(pentan-3-yl)amino]pyrazine-2-carboxylic acid
CID 62702545
2-N-(2-methoxyethyl)-5-methyl-2-N-pentan-3-ylpyridine-2,4-diamine
CID 83265340
6-N-ethyl-4-N-(2-methoxyethyl)-2-methylsulfanyl-4-N-pentan-3-ylpyrimidine-4,6-diamine
CID 80787308
6-chloro-N-(2-methoxyethyl)-N-pentan-3-yl-5-propan-2-ylpyrimidin-4-amine
CID 63728997

Frequently Asked Questions

What is the IUPAC name of 3,5,6-trifluoro-N-(2-methoxyethyl)-N-pentan-3-ylpyridin-2-amine?
The IUPAC name of 3,5,6-trifluoro-N-(2-methoxyethyl)-N-pentan-3-ylpyridin-2-amine (CID 114072484) is 3,5,6-trifluoro-N-(2-methoxyethyl)-N-pentan-3-ylpyridin-2-amine.
What is the SMILES notation for 3,5,6-trifluoro-N-(2-methoxyethyl)-N-pentan-3-ylpyridin-2-amine?
The canonical SMILES for 3,5,6-trifluoro-N-(2-methoxyethyl)-N-pentan-3-ylpyridin-2-amine is CCC(CC)N(CCOC)c1nc(F)c(F)cc1F.
What is the InChIKey of 3,5,6-trifluoro-N-(2-methoxyethyl)-N-pentan-3-ylpyridin-2-amine?
The InChIKey is SXKQAXUMFGDJGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F3N2O/c1-4-9(5-2)18(6-7-19-3)13-11(15)8-10(14)12(16)17-13/h8-9H,4-7H2,1-3H3.
What are the key properties of 3,5,6-trifluoro-N-(2-methoxyethyl)-N-pentan-3-ylpyridin-2-amine?
3,5,6-trifluoro-N-(2-methoxyethyl)-N-pentan-3-ylpyridin-2-amine has a molecular weight of 276.30 g/mol, XLogP of 3.14, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5,6-trifluoro-N-(2-methoxyethyl)-N-pentan-3-ylpyridin-2-amine is sourced from PubChem (CID 114072484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).