3-[[6-(ethylamino)-4-(trifluoromethyl)-2-pyridinyl]amino]-2-methylbutan-1-ol

C13H20F3N3O — CID 102719296

IUPAC3-[[6-(ethylamino)-4-(trifluoromethyl)-2-pyridinyl]amino]-2-methylbutan-1-ol
SMILESCCNc1cc(C(F)(F)F)cc(NC(C)C(C)CO)n1
InChIInChI=1S/C13H20F3N3O/c1-4-17-11-5-10(13(14,15)16)6-12(19-11)18-9(3)8(2)7-20/h5-6,8-9,20H,4,7H2,1-3H3,(H2,17,18,19)
InChIKeyXTIWIUOVSBOJHQ-UHFFFAOYSA-N
MW291.32 g/mol
LogP2.96
Rot. Bonds6

About 3-[[6-(ethylamino)-4-(trifluoromethyl)-2-pyridinyl]amino]-2-methylbutan-1-ol

3-[[6-(ethylamino)-4-(trifluoromethyl)-2-pyridinyl]amino]-2-methylbutan-1-ol (PubChem CID 102719296) has the molecular formula C13H20F3N3O and a molecular weight of 291.32 g/mol. Its IUPAC name is 3-[[6-(ethylamino)-4-(trifluoromethyl)-2-pyridinyl]amino]-2-methylbutan-1-ol.

Molecular Properties

Compound Name3-[[6-(ethylamino)-4-(trifluoromethyl)-2-pyridinyl]amino]-2-methylbutan-1-ol
PubChem CID102719296
Molecular FormulaC13H20F3N3O
Molecular Weight291.32 g/mol
Exact Mass291.16
IUPAC Name3-[[6-(ethylamino)-4-(trifluoromethyl)-2-pyridinyl]amino]-2-methylbutan-1-ol
SMILESCCNc1cc(C(F)(F)F)cc(NC(C)C(C)CO)n1
InChIInChI=1S/C13H20F3N3O/c1-4-17-11-5-10(13(14,15)16)6-12(19-11)18-9(3)8(2)7-20/h5-6,8-9,20H,4,7H2,1-3H3,(H2,17,18,19)
InChIKeyXTIWIUOVSBOJHQ-UHFFFAOYSA-N
XLogP2.96
TPSA57.18 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.32
LogP ≤ 52.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

6-N-(3-methylpentan-2-yl)-2-N-propyl-4-(trifluoromethyl)pyridine-2,6-diamine
CID 102717856
methyl 2-[[6-(ethylamino)-4-(trifluoromethyl)-2-pyridinyl]amino]propanoate
CID 102717921
2-[[6-(ethylamino)-4-(trifluoromethyl)-2-pyridinyl]-methylamino]propan-1-ol
CID 102719208
2-N-ethyl-6-N-(2-methylsulfanylpropyl)-4-(trifluoromethyl)pyridine-2,6-diamine
CID 102719235
2-methyl-3-[[2-(methylamino)-6-(trifluoromethyl)pyrimidin-4-yl]amino]butan-1-ol
CID 114565854
6-N-butyl-2-N-ethyl-4-(trifluoromethyl)pyridine-2,6-diamine
CID 102717307
2-N-ethyl-6-N-(2-methylsulfinylpropyl)-4-(trifluoromethyl)pyridine-2,6-diamine
CID 102719293
3-[[6-(ethylamino)-2-(trifluoromethyl)pyrimidin-4-yl]amino]-4-methylpentan-1-ol
CID 106358061
6-N-[2-(diethylamino)ethyl]-2-N-ethyl-4-(trifluoromethyl)pyridine-2,6-diamine
CID 102717287
N-ethyl-6-(5-methyl-3-pyridinyl)-4-(trifluoromethyl)pyridin-2-amine
CID 102716835
N-ethyl-6-[(2-methylpropan-2-yl)oxy]-4-(trifluoromethyl)pyridin-2-amine
CID 102719643
3-[[6-hydrazinyl-4-(trifluoromethyl)-2-pyridinyl]amino]-4-methylpentan-1-ol
CID 106358437

Frequently Asked Questions

What is the IUPAC name of 3-[[6-(ethylamino)-4-(trifluoromethyl)-2-pyridinyl]amino]-2-methylbutan-1-ol?
The IUPAC name of 3-[[6-(ethylamino)-4-(trifluoromethyl)-2-pyridinyl]amino]-2-methylbutan-1-ol (CID 102719296) is 3-[[6-(ethylamino)-4-(trifluoromethyl)-2-pyridinyl]amino]-2-methylbutan-1-ol.
What is the SMILES notation for 3-[[6-(ethylamino)-4-(trifluoromethyl)-2-pyridinyl]amino]-2-methylbutan-1-ol?
The canonical SMILES for 3-[[6-(ethylamino)-4-(trifluoromethyl)-2-pyridinyl]amino]-2-methylbutan-1-ol is CCNc1cc(C(F)(F)F)cc(NC(C)C(C)CO)n1.
What is the InChIKey of 3-[[6-(ethylamino)-4-(trifluoromethyl)-2-pyridinyl]amino]-2-methylbutan-1-ol?
The InChIKey is XTIWIUOVSBOJHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20F3N3O/c1-4-17-11-5-10(13(14,15)16)6-12(19-11)18-9(3)8(2)7-20/h5-6,8-9,20H,4,7H2,1-3H3,(H2,17,18,19).
What are the key properties of 3-[[6-(ethylamino)-4-(trifluoromethyl)-2-pyridinyl]amino]-2-methylbutan-1-ol?
3-[[6-(ethylamino)-4-(trifluoromethyl)-2-pyridinyl]amino]-2-methylbutan-1-ol has a molecular weight of 291.32 g/mol, XLogP of 2.96, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[6-(ethylamino)-4-(trifluoromethyl)-2-pyridinyl]amino]-2-methylbutan-1-ol is sourced from PubChem (CID 102719296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).