3-ethyl-1-[5-(trifluoromethyl)-2-pyridinyl]pentan-1-amine

C13H19F3N2 — CID 105176912

IUPAC3-ethyl-1-[5-(trifluoromethyl)-2-pyridinyl]pentan-1-amine
SMILESCCC(CC)CC(N)c1ccc(C(F)(F)F)cn1
InChIInChI=1S/C13H19F3N2/c1-3-9(4-2)7-11(17)12-6-5-10(8-18-12)13(14,15)16/h5-6,8-9,11H,3-4,7,17H2,1-2H3
InChIKeyMJYUHLYUHISFGR-UHFFFAOYSA-N
MW260.30 g/mol
LogP3.93
Rot. Bonds5

About 3-ethyl-1-[5-(trifluoromethyl)-2-pyridinyl]pentan-1-amine

3-ethyl-1-[5-(trifluoromethyl)-2-pyridinyl]pentan-1-amine (PubChem CID 105176912) has the molecular formula C13H19F3N2 and a molecular weight of 260.30 g/mol. Its IUPAC name is 3-ethyl-1-[5-(trifluoromethyl)-2-pyridinyl]pentan-1-amine.

Molecular Properties

Compound Name3-ethyl-1-[5-(trifluoromethyl)-2-pyridinyl]pentan-1-amine
PubChem CID105176912
Molecular FormulaC13H19F3N2
Molecular Weight260.30 g/mol
Exact Mass260.15
IUPAC Name3-ethyl-1-[5-(trifluoromethyl)-2-pyridinyl]pentan-1-amine
SMILESCCC(CC)CC(N)c1ccc(C(F)(F)F)cn1
InChIInChI=1S/C13H19F3N2/c1-3-9(4-2)7-11(17)12-6-5-10(8-18-12)13(14,15)16/h5-6,8-9,11H,3-4,7,17H2,1-2H3
InChIKeyMJYUHLYUHISFGR-UHFFFAOYSA-N
XLogP3.93
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4,4,4-trifluoro-1-[5-(trifluoromethyl)-2-pyridinyl]butan-1-amine
CID 105156496
1-[5-(trifluoromethyl)-2-pyridinyl]decan-1-amine
CID 105124478
1-[5-(trifluoromethyl)-2-pyridinyl]octan-1-amine
CID 105125097
2-cyclopropyl-1-[5-(trifluoromethyl)-2-pyridinyl]ethanamine
CID 112693374
2-(2,6-dimethylphenyl)-1-[5-(trifluoromethyl)-2-pyridinyl]ethanamine
CID 105174687
2-(1-ethylpyrazol-4-yl)-1-[5-(trifluoromethyl)-2-pyridinyl]ethanamine
CID 105115043
4-methylsulfonyl-1-[5-(trifluoromethyl)-2-pyridinyl]butan-1-amine
CID 105113529
2-(1,3-thiazol-2-yl)-1-[5-(trifluoromethyl)-2-pyridinyl]ethanamine
CID 105169295
2-(difluoromethyl)-5-(trifluoromethyl)pyridine
CID 130094479
ethyl 2,3-dihydroxy-3-[5-(trifluoromethyl)-2-pyridinyl]propanoate
CID 171866505
bis[5-(trifluoromethyl)-2-pyridinyl]methanol
CID 170433737
(2-ethylpyrazol-3-yl)-[5-(trifluoromethyl)-2-pyridinyl]methanamine
CID 105148490

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-[5-(trifluoromethyl)-2-pyridinyl]pentan-1-amine?
The IUPAC name of 3-ethyl-1-[5-(trifluoromethyl)-2-pyridinyl]pentan-1-amine (CID 105176912) is 3-ethyl-1-[5-(trifluoromethyl)-2-pyridinyl]pentan-1-amine.
What is the SMILES notation for 3-ethyl-1-[5-(trifluoromethyl)-2-pyridinyl]pentan-1-amine?
The canonical SMILES for 3-ethyl-1-[5-(trifluoromethyl)-2-pyridinyl]pentan-1-amine is CCC(CC)CC(N)c1ccc(C(F)(F)F)cn1.
What is the InChIKey of 3-ethyl-1-[5-(trifluoromethyl)-2-pyridinyl]pentan-1-amine?
The InChIKey is MJYUHLYUHISFGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F3N2/c1-3-9(4-2)7-11(17)12-6-5-10(8-18-12)13(14,15)16/h5-6,8-9,11H,3-4,7,17H2,1-2H3.
What are the key properties of 3-ethyl-1-[5-(trifluoromethyl)-2-pyridinyl]pentan-1-amine?
3-ethyl-1-[5-(trifluoromethyl)-2-pyridinyl]pentan-1-amine has a molecular weight of 260.30 g/mol, XLogP of 3.93, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-[5-(trifluoromethyl)-2-pyridinyl]pentan-1-amine is sourced from PubChem (CID 105176912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).