2-[[4-[1-(methylamino)ethyl]-2-pyridinyl]-(2,2,2-trifluoroethyl)amino]ethanol

C12H18F3N3O — CID 107480595

IUPAC2-[[4-[1-(methylamino)ethyl]-2-pyridinyl]-(2,2,2-trifluoroethyl)amino]ethanol
SMILESCNC(C)c1ccnc(N(CCO)CC(F)(F)F)c1
InChIInChI=1S/C12H18F3N3O/c1-9(16-2)10-3-4-17-11(7-10)18(5-6-19)8-12(13,14)15/h3-4,7,9,16,19H,5-6,8H2,1-2H3
InChIKeyWRLKUCMAQXHTIR-UHFFFAOYSA-N
MW277.29 g/mol
LogP1.72
Rot. Bonds6

About 2-[[4-[1-(methylamino)ethyl]-2-pyridinyl]-(2,2,2-trifluoroethyl)amino]ethanol

2-[[4-[1-(methylamino)ethyl]-2-pyridinyl]-(2,2,2-trifluoroethyl)amino]ethanol (PubChem CID 107480595) has the molecular formula C12H18F3N3O and a molecular weight of 277.29 g/mol. Its IUPAC name is 2-[[4-[1-(methylamino)ethyl]-2-pyridinyl]-(2,2,2-trifluoroethyl)amino]ethanol.

Molecular Properties

Compound Name2-[[4-[1-(methylamino)ethyl]-2-pyridinyl]-(2,2,2-trifluoroethyl)amino]ethanol
PubChem CID107480595
Molecular FormulaC12H18F3N3O
Molecular Weight277.29 g/mol
Exact Mass277.14
IUPAC Name2-[[4-[1-(methylamino)ethyl]-2-pyridinyl]-(2,2,2-trifluoroethyl)amino]ethanol
SMILESCNC(C)c1ccnc(N(CCO)CC(F)(F)F)c1
InChIInChI=1S/C12H18F3N3O/c1-9(16-2)10-3-4-17-11(7-10)18(5-6-19)8-12(13,14)15/h3-4,7,9,16,19H,5-6,8H2,1-2H3
InChIKeyWRLKUCMAQXHTIR-UHFFFAOYSA-N
XLogP1.72
TPSA48.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.29
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[[4-[1-(methylamino)ethyl]-2-pyridinyl]-(2,2,2-trifluoroethyl)amino]ethanol with MolForge

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Related Compounds

2-[[4-(hydroxymethyl)-2-pyridinyl]-(2,2,2-trifluoroethyl)amino]ethanol
CID 107484659
2-[3-methoxy-2-[1-(methylamino)ethyl]-N-(2,2,2-trifluoroethyl)anilino]ethanol
CID 107480617
2-[2,2,2-trifluoroethyl-[6-(trifluoromethyl)pyridazin-3-yl]amino]ethanol
CID 107484538
2-[[5-[(2-methylpropylamino)methyl]-2-pyridinyl]-(2,2,2-trifluoroethyl)amino]ethanol
CID 107481548
2-[propyl-[4-(trifluoromethyl)-2-pyridinyl]amino]ethanol
CID 66330070
2-[[4-(hydroxymethyl)-6-propan-2-yl-2-pyridinyl]-(2,2,2-trifluoroethyl)amino]ethanol
CID 107484677
2-[[3-(1-aminoethyl)-2-pyridinyl]-(2,2,2-trifluoroethyl)amino]ethanol
CID 114056489
2-[(2-hydrazinyl-6-methylpyrimidin-4-yl)-(2,2,2-trifluoroethyl)amino]ethanol
CID 107495437
2-[(5-amino-2-pyridinyl)-(2,2,2-trifluoroethyl)amino]ethanol
CID 107478357
2-[[5-(ethylaminomethyl)-2-pyridinyl]-(2,2,2-trifluoroethyl)amino]ethanol
CID 107481493
2-(1-hydroxyethyl)-5-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]phenol
CID 107481086
2-chloro-N-methyl-4-[1-(methylamino)ethyl]-N-(2,2,2-trifluoroethyl)aniline
CID 62909051

Frequently Asked Questions

What is the IUPAC name of 2-[[4-[1-(methylamino)ethyl]-2-pyridinyl]-(2,2,2-trifluoroethyl)amino]ethanol?
The IUPAC name of 2-[[4-[1-(methylamino)ethyl]-2-pyridinyl]-(2,2,2-trifluoroethyl)amino]ethanol (CID 107480595) is 2-[[4-[1-(methylamino)ethyl]-2-pyridinyl]-(2,2,2-trifluoroethyl)amino]ethanol.
What is the SMILES notation for 2-[[4-[1-(methylamino)ethyl]-2-pyridinyl]-(2,2,2-trifluoroethyl)amino]ethanol?
The canonical SMILES for 2-[[4-[1-(methylamino)ethyl]-2-pyridinyl]-(2,2,2-trifluoroethyl)amino]ethanol is CNC(C)c1ccnc(N(CCO)CC(F)(F)F)c1.
What is the InChIKey of 2-[[4-[1-(methylamino)ethyl]-2-pyridinyl]-(2,2,2-trifluoroethyl)amino]ethanol?
The InChIKey is WRLKUCMAQXHTIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F3N3O/c1-9(16-2)10-3-4-17-11(7-10)18(5-6-19)8-12(13,14)15/h3-4,7,9,16,19H,5-6,8H2,1-2H3.
What are the key properties of 2-[[4-[1-(methylamino)ethyl]-2-pyridinyl]-(2,2,2-trifluoroethyl)amino]ethanol?
2-[[4-[1-(methylamino)ethyl]-2-pyridinyl]-(2,2,2-trifluoroethyl)amino]ethanol has a molecular weight of 277.29 g/mol, XLogP of 1.72, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[1-(methylamino)ethyl]-2-pyridinyl]-(2,2,2-trifluoroethyl)amino]ethanol is sourced from PubChem (CID 107480595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).