2-pyridin-4-yl-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine

C11H15F3N2O — CID 55031740

IUPAC2-pyridin-4-yl-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine
SMILESFC(F)(F)COCCNCCc1ccncc1
InChIInChI=1S/C11H15F3N2O/c12-11(13,14)9-17-8-7-16-6-3-10-1-4-15-5-2-10/h1-2,4-5,16H,3,6-9H2
InChIKeyFTMWAVIGDZJWBN-UHFFFAOYSA-N
MW248.25 g/mol
LogP1.79
Rot. Bonds7

About 2-pyridin-4-yl-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine

2-pyridin-4-yl-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine (PubChem CID 55031740) has the molecular formula C11H15F3N2O and a molecular weight of 248.25 g/mol. Its IUPAC name is 2-pyridin-4-yl-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine.

Molecular Properties

Compound Name2-pyridin-4-yl-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine
PubChem CID55031740
Molecular FormulaC11H15F3N2O
Molecular Weight248.25 g/mol
Exact Mass248.11
IUPAC Name2-pyridin-4-yl-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine
SMILESFC(F)(F)COCCNCCc1ccncc1
InChIInChI=1S/C11H15F3N2O/c12-11(13,14)9-17-8-7-16-6-3-10-1-4-15-5-2-10/h1-2,4-5,16H,3,6-9H2
InChIKeyFTMWAVIGDZJWBN-UHFFFAOYSA-N
XLogP1.79
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.25
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-pyridin-4-yl-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine 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-phenyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine
CID 60733353
2-pyridin-4-yl-N-(2,2,2-trifluoroethoxy)ethanamine
CID 82721751
2-(2-methylpyrazol-3-yl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine
CID 103001408
N-(2-propan-2-yloxyethyl)-2-pyridin-4-ylethanamine
CID 61485275
2-(2-pyridin-4-ylethylamino)ethanol
CID 564407
N-[2-(4-nitrophenyl)ethyl]-3-(2,2,2-trifluoroethoxy)propan-1-amine
CID 61491418
N-[(3,4-dichlorophenyl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine
CID 60732872
[4-[[2-(2,2,2-trifluoroethoxy)ethylamino]methyl]phenyl]methanol
CID 113365792
2-pyridin-4-yl-N-[[3-(trifluoromethyl)phenyl]methyl]ethanamine
CID 60647921
N-(2-methoxyethyl)-3-pyridin-4-ylpropan-1-amine
CID 62549187
2-methyl-4-(2-pyridin-4-ylethylamino)butan-2-ol
CID 79359431
2-methoxy-2-methyl-N-(2-pyridin-4-ylethyl)propan-1-amine
CID 104760595

Frequently Asked Questions

What is the IUPAC name of 2-pyridin-4-yl-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine?
The IUPAC name of 2-pyridin-4-yl-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine (CID 55031740) is 2-pyridin-4-yl-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine.
What is the SMILES notation for 2-pyridin-4-yl-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine?
The canonical SMILES for 2-pyridin-4-yl-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine is FC(F)(F)COCCNCCc1ccncc1.
What is the InChIKey of 2-pyridin-4-yl-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine?
The InChIKey is FTMWAVIGDZJWBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N2O/c12-11(13,14)9-17-8-7-16-6-3-10-1-4-15-5-2-10/h1-2,4-5,16H,3,6-9H2.
What are the key properties of 2-pyridin-4-yl-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine?
2-pyridin-4-yl-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine has a molecular weight of 248.25 g/mol, XLogP of 1.79, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyridin-4-yl-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine is sourced from PubChem (CID 55031740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).