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

C12H18F3N3O — CID 102719208

IUPAC2-[[6-(ethylamino)-4-(trifluoromethyl)-2-pyridinyl]-methylamino]propan-1-ol
SMILESCCNc1cc(C(F)(F)F)cc(N(C)C(C)CO)n1
InChIInChI=1S/C12H18F3N3O/c1-4-16-10-5-9(12(13,14)15)6-11(17-10)18(3)8(2)7-19/h5-6,8,19H,4,7H2,1-3H3,(H,16,17)
InChIKeyZWYSGBIVCJQHLM-UHFFFAOYSA-N
MW277.29 g/mol
LogP2.35
Rot. Bonds5

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

2-[[6-(ethylamino)-4-(trifluoromethyl)-2-pyridinyl]-methylamino]propan-1-ol (PubChem CID 102719208) has the molecular formula C12H18F3N3O and a molecular weight of 277.29 g/mol. Its IUPAC name is 2-[[6-(ethylamino)-4-(trifluoromethyl)-2-pyridinyl]-methylamino]propan-1-ol.

Molecular Properties

Compound Name2-[[6-(ethylamino)-4-(trifluoromethyl)-2-pyridinyl]-methylamino]propan-1-ol
PubChem CID102719208
Molecular FormulaC12H18F3N3O
Molecular Weight277.29 g/mol
Exact Mass277.14
IUPAC Name2-[[6-(ethylamino)-4-(trifluoromethyl)-2-pyridinyl]-methylamino]propan-1-ol
SMILESCCNc1cc(C(F)(F)F)cc(N(C)C(C)CO)n1
InChIInChI=1S/C12H18F3N3O/c1-4-16-10-5-9(12(13,14)15)6-11(17-10)18(3)8(2)7-19/h5-6,8,19H,4,7H2,1-3H3,(H,16,17)
InChIKeyZWYSGBIVCJQHLM-UHFFFAOYSA-N
XLogP2.35
TPSA48.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.29
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[[6-(ethylamino)-4-(trifluoromethyl)-2-pyridinyl]-methylamino]propan-1-ol with MolForge

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Related Compounds

2-N-ethyl-6-N-methyl-6-N-(1-methylsulfanylbutan-2-yl)-4-(trifluoromethyl)pyridine-2,6-diamine
CID 102719135
2-[[2-tert-butyl-6-(ethylamino)pyrimidin-4-yl]-methylamino]propan-1-ol
CID 104557046
1-[[6-(ethylamino)-4-(trifluoromethyl)-2-pyridinyl]-methylamino]-2-methylpropan-2-ol
CID 102718868
2-N-ethyl-6-N-(2-methylpropyl)-6-N-propan-2-yl-4-(trifluoromethyl)pyridine-2,6-diamine
CID 102718062
3-[[6-(ethylamino)-4-(trifluoromethyl)-2-pyridinyl]amino]-2-methylbutan-1-ol
CID 102719296
6-N-cyclopropyl-2-N,6-N-diethyl-4-(trifluoromethyl)pyridine-2,6-diamine
CID 102717403
2-N-ethyl-6-N-(2-methylsulfanylpropyl)-4-(trifluoromethyl)pyridine-2,6-diamine
CID 102719235
6-N-methyl-6-N-(2-methylbutyl)-2-N-propyl-4-(trifluoromethyl)pyridine-2,6-diamine
CID 102717450
N-butan-2-yl-6-chloro-N-methyl-4-(trifluoromethyl)pyridin-2-amine
CID 102715484
2-methyl-2-[methyl-[6-(methylamino)-4-(trifluoromethyl)-2-pyridinyl]amino]propan-1-ol
CID 102719263
methyl 2-[[6-(ethylamino)-4-(trifluoromethyl)-2-pyridinyl]amino]propanoate
CID 102717921
6-N-butyl-2-N-ethyl-4-(trifluoromethyl)pyridine-2,6-diamine
CID 102717307

Frequently Asked Questions

What is the IUPAC name of 2-[[6-(ethylamino)-4-(trifluoromethyl)-2-pyridinyl]-methylamino]propan-1-ol?
The IUPAC name of 2-[[6-(ethylamino)-4-(trifluoromethyl)-2-pyridinyl]-methylamino]propan-1-ol (CID 102719208) is 2-[[6-(ethylamino)-4-(trifluoromethyl)-2-pyridinyl]-methylamino]propan-1-ol.
What is the SMILES notation for 2-[[6-(ethylamino)-4-(trifluoromethyl)-2-pyridinyl]-methylamino]propan-1-ol?
The canonical SMILES for 2-[[6-(ethylamino)-4-(trifluoromethyl)-2-pyridinyl]-methylamino]propan-1-ol is CCNc1cc(C(F)(F)F)cc(N(C)C(C)CO)n1.
What is the InChIKey of 2-[[6-(ethylamino)-4-(trifluoromethyl)-2-pyridinyl]-methylamino]propan-1-ol?
The InChIKey is ZWYSGBIVCJQHLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F3N3O/c1-4-16-10-5-9(12(13,14)15)6-11(17-10)18(3)8(2)7-19/h5-6,8,19H,4,7H2,1-3H3,(H,16,17).
What are the key properties of 2-[[6-(ethylamino)-4-(trifluoromethyl)-2-pyridinyl]-methylamino]propan-1-ol?
2-[[6-(ethylamino)-4-(trifluoromethyl)-2-pyridinyl]-methylamino]propan-1-ol has a molecular weight of 277.29 g/mol, XLogP of 2.35, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-(ethylamino)-4-(trifluoromethyl)-2-pyridinyl]-methylamino]propan-1-ol is sourced from PubChem (CID 102719208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).