2-[[4-(hydroxymethyl)-6-propan-2-yl-2-pyridinyl]-(2,2,2-trifluoroethyl)amino]ethanol

C13H19F3N2O2 — CID 107484677

IUPAC2-[[4-(hydroxymethyl)-6-propan-2-yl-2-pyridinyl]-(2,2,2-trifluoroethyl)amino]ethanol
SMILESCC(C)c1cc(CO)cc(N(CCO)CC(F)(F)F)n1
InChIInChI=1S/C13H19F3N2O2/c1-9(2)11-5-10(7-20)6-12(17-11)18(3-4-19)8-13(14,15)16/h5-6,9,19-20H,3-4,7-8H2,1-2H3
InChIKeyCOYODKJRLZHWLH-UHFFFAOYSA-N
MW292.30 g/mol
LogP2.06
Rot. Bonds6

About 2-[[4-(hydroxymethyl)-6-propan-2-yl-2-pyridinyl]-(2,2,2-trifluoroethyl)amino]ethanol

2-[[4-(hydroxymethyl)-6-propan-2-yl-2-pyridinyl]-(2,2,2-trifluoroethyl)amino]ethanol (PubChem CID 107484677) has the molecular formula C13H19F3N2O2 and a molecular weight of 292.30 g/mol. Its IUPAC name is 2-[[4-(hydroxymethyl)-6-propan-2-yl-2-pyridinyl]-(2,2,2-trifluoroethyl)amino]ethanol.

Molecular Properties

Compound Name2-[[4-(hydroxymethyl)-6-propan-2-yl-2-pyridinyl]-(2,2,2-trifluoroethyl)amino]ethanol
PubChem CID107484677
Molecular FormulaC13H19F3N2O2
Molecular Weight292.30 g/mol
Exact Mass292.14
IUPAC Name2-[[4-(hydroxymethyl)-6-propan-2-yl-2-pyridinyl]-(2,2,2-trifluoroethyl)amino]ethanol
SMILESCC(C)c1cc(CO)cc(N(CCO)CC(F)(F)F)n1
InChIInChI=1S/C13H19F3N2O2/c1-9(2)11-5-10(7-20)6-12(17-11)18(3-4-19)8-13(14,15)16/h5-6,9,19-20H,3-4,7-8H2,1-2H3
InChIKeyCOYODKJRLZHWLH-UHFFFAOYSA-N
XLogP2.06
TPSA56.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.30
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[[4-(hydroxymethyl)-6-propan-2-yl-2-pyridinyl]-(2,2,2-trifluoroethyl)amino]ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[[4-(hydroxymethyl)-2-pyridinyl]-(2,2,2-trifluoroethyl)amino]ethanol
CID 107484659
2-[(6-amino-2-methylpyrimidin-4-yl)-(2,2,2-trifluoroethyl)amino]ethanol
CID 107495365
2-[(2-hydrazinyl-6-methylpyrimidin-4-yl)-(2,2,2-trifluoroethyl)amino]ethanol
CID 107495437
2-[(2-amino-6-hydrazinylpyrimidin-4-yl)-(2,2,2-trifluoroethyl)amino]ethanol
CID 107495464
2-[[2-amino-6-(ethylamino)pyrimidin-4-yl]-(2,2,2-trifluoroethyl)amino]ethanol
CID 107495264
[2-ethyl-6-[methyl(2,2,2-trifluoroethyl)amino]-4-pyridinyl]methanol
CID 113380475
2-[[4-[1-(methylamino)ethyl]-2-pyridinyl]-(2,2,2-trifluoroethyl)amino]ethanol
CID 107480595
2-[[5-[(2-methylpropylamino)methyl]-2-pyridinyl]-(2,2,2-trifluoroethyl)amino]ethanol
CID 107481548
2-[2,2,2-trifluoroethyl-[6-(trifluoromethyl)pyridazin-3-yl]amino]ethanol
CID 107484538
2-[[5-[(propan-2-ylamino)methyl]pyrimidin-2-yl]-(2,2,2-trifluoroethyl)amino]ethanol
CID 107481530
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

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(hydroxymethyl)-6-propan-2-yl-2-pyridinyl]-(2,2,2-trifluoroethyl)amino]ethanol?
The IUPAC name of 2-[[4-(hydroxymethyl)-6-propan-2-yl-2-pyridinyl]-(2,2,2-trifluoroethyl)amino]ethanol (CID 107484677) is 2-[[4-(hydroxymethyl)-6-propan-2-yl-2-pyridinyl]-(2,2,2-trifluoroethyl)amino]ethanol.
What is the SMILES notation for 2-[[4-(hydroxymethyl)-6-propan-2-yl-2-pyridinyl]-(2,2,2-trifluoroethyl)amino]ethanol?
The canonical SMILES for 2-[[4-(hydroxymethyl)-6-propan-2-yl-2-pyridinyl]-(2,2,2-trifluoroethyl)amino]ethanol is CC(C)c1cc(CO)cc(N(CCO)CC(F)(F)F)n1.
What is the InChIKey of 2-[[4-(hydroxymethyl)-6-propan-2-yl-2-pyridinyl]-(2,2,2-trifluoroethyl)amino]ethanol?
The InChIKey is COYODKJRLZHWLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F3N2O2/c1-9(2)11-5-10(7-20)6-12(17-11)18(3-4-19)8-13(14,15)16/h5-6,9,19-20H,3-4,7-8H2,1-2H3.
What are the key properties of 2-[[4-(hydroxymethyl)-6-propan-2-yl-2-pyridinyl]-(2,2,2-trifluoroethyl)amino]ethanol?
2-[[4-(hydroxymethyl)-6-propan-2-yl-2-pyridinyl]-(2,2,2-trifluoroethyl)amino]ethanol has a molecular weight of 292.30 g/mol, XLogP of 2.06, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(hydroxymethyl)-6-propan-2-yl-2-pyridinyl]-(2,2,2-trifluoroethyl)amino]ethanol is sourced from PubChem (CID 107484677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).