1-[[6-(ethylamino)-4-(trifluoromethyl)-2-pyridinyl]-methylamino]-2-methylpropan-2-ol

C13H20F3N3O — CID 102718868

IUPAC1-[[6-(ethylamino)-4-(trifluoromethyl)-2-pyridinyl]-methylamino]-2-methylpropan-2-ol
SMILESCCNc1cc(C(F)(F)F)cc(N(C)CC(C)(C)O)n1
InChIInChI=1S/C13H20F3N3O/c1-5-17-10-6-9(13(14,15)16)7-11(18-10)19(4)8-12(2,3)20/h6-7,20H,5,8H2,1-4H3,(H,17,18)
InChIKeyBUGZSILCOPMFCK-UHFFFAOYSA-N
MW291.32 g/mol
LogP2.74
Rot. Bonds5

About 1-[[6-(ethylamino)-4-(trifluoromethyl)-2-pyridinyl]-methylamino]-2-methylpropan-2-ol

1-[[6-(ethylamino)-4-(trifluoromethyl)-2-pyridinyl]-methylamino]-2-methylpropan-2-ol (PubChem CID 102718868) has the molecular formula C13H20F3N3O and a molecular weight of 291.32 g/mol. Its IUPAC name is 1-[[6-(ethylamino)-4-(trifluoromethyl)-2-pyridinyl]-methylamino]-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-[[6-(ethylamino)-4-(trifluoromethyl)-2-pyridinyl]-methylamino]-2-methylpropan-2-ol
PubChem CID102718868
Molecular FormulaC13H20F3N3O
Molecular Weight291.32 g/mol
Exact Mass291.16
IUPAC Name1-[[6-(ethylamino)-4-(trifluoromethyl)-2-pyridinyl]-methylamino]-2-methylpropan-2-ol
SMILESCCNc1cc(C(F)(F)F)cc(N(C)CC(C)(C)O)n1
InChIInChI=1S/C13H20F3N3O/c1-5-17-10-6-9(13(14,15)16)7-11(18-10)19(4)8-12(2,3)20/h6-7,20H,5,8H2,1-4H3,(H,17,18)
InChIKeyBUGZSILCOPMFCK-UHFFFAOYSA-N
XLogP2.74
TPSA48.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.32
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[[6-(ethylamino)-2-(trifluoromethyl)pyrimidin-4-yl]-methylamino]-2-methylpropan-2-ol
CID 106772441
2-[[6-(ethylamino)-4-(trifluoromethyl)-2-pyridinyl]-methylamino]propan-1-ol
CID 102719208
6-N-cyclopropyl-2-N,6-N-diethyl-4-(trifluoromethyl)pyridine-2,6-diamine
CID 102717403
2-N-ethyl-6-N-(2-methylpropyl)-6-N-propan-2-yl-4-(trifluoromethyl)pyridine-2,6-diamine
CID 102718062
2-N-ethyl-6-N-methyl-6-N-(1-methylsulfanylbutan-2-yl)-4-(trifluoromethyl)pyridine-2,6-diamine
CID 102719135
2-methyl-1-[methyl-[2-propyl-6-(propylamino)pyrimidin-4-yl]amino]propan-2-ol
CID 80950546
6-N-methyl-6-N-(2-methylbutyl)-2-N-propyl-4-(trifluoromethyl)pyridine-2,6-diamine
CID 102717450
2-methyl-1-[methyl-[2-methyl-6-(propylamino)pyrimidin-4-yl]amino]propan-2-ol
CID 80848388
6-N-butyl-2-N-ethyl-4-(trifluoromethyl)pyridine-2,6-diamine
CID 102717307
6-N-[2-(diethylamino)ethyl]-2-N-ethyl-4-(trifluoromethyl)pyridine-2,6-diamine
CID 102717287
1-[[2-amino-6-(trifluoromethyl)pyrimidin-4-yl]-methylamino]-2-methylpropan-2-ol
CID 114565428
1-[[6-hydrazinyl-4-(trifluoromethyl)-2-pyridinyl]-methylamino]propan-2-ol
CID 102720682

Frequently Asked Questions

What is the IUPAC name of 1-[[6-(ethylamino)-4-(trifluoromethyl)-2-pyridinyl]-methylamino]-2-methylpropan-2-ol?
The IUPAC name of 1-[[6-(ethylamino)-4-(trifluoromethyl)-2-pyridinyl]-methylamino]-2-methylpropan-2-ol (CID 102718868) is 1-[[6-(ethylamino)-4-(trifluoromethyl)-2-pyridinyl]-methylamino]-2-methylpropan-2-ol.
What is the SMILES notation for 1-[[6-(ethylamino)-4-(trifluoromethyl)-2-pyridinyl]-methylamino]-2-methylpropan-2-ol?
The canonical SMILES for 1-[[6-(ethylamino)-4-(trifluoromethyl)-2-pyridinyl]-methylamino]-2-methylpropan-2-ol is CCNc1cc(C(F)(F)F)cc(N(C)CC(C)(C)O)n1.
What is the InChIKey of 1-[[6-(ethylamino)-4-(trifluoromethyl)-2-pyridinyl]-methylamino]-2-methylpropan-2-ol?
The InChIKey is BUGZSILCOPMFCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20F3N3O/c1-5-17-10-6-9(13(14,15)16)7-11(18-10)19(4)8-12(2,3)20/h6-7,20H,5,8H2,1-4H3,(H,17,18).
What are the key properties of 1-[[6-(ethylamino)-4-(trifluoromethyl)-2-pyridinyl]-methylamino]-2-methylpropan-2-ol?
1-[[6-(ethylamino)-4-(trifluoromethyl)-2-pyridinyl]-methylamino]-2-methylpropan-2-ol has a molecular weight of 291.32 g/mol, XLogP of 2.74, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[6-(ethylamino)-4-(trifluoromethyl)-2-pyridinyl]-methylamino]-2-methylpropan-2-ol is sourced from PubChem (CID 102718868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).