2-[4-[1-(methylamino)ethyl]phenoxy]-N-(2,2,2-trifluoroethyl)acetamide

C13H17F3N2O2 — CID 61492639

IUPAC2-[4-[1-(methylamino)ethyl]phenoxy]-N-(2,2,2-trifluoroethyl)acetamide
SMILESCNC(C)c1ccc(OCC(=O)NCC(F)(F)F)cc1
InChIInChI=1S/C13H17F3N2O2/c1-9(17-2)10-3-5-11(6-4-10)20-7-12(19)18-8-13(14,15)16/h3-6,9,17H,7-8H2,1-2H3,(H,18,19)
InChIKeyQSNZSTZTSSQMDP-UHFFFAOYSA-N
MW290.29 g/mol
LogP2.02
Rot. Bonds6

About 2-[4-[1-(methylamino)ethyl]phenoxy]-N-(2,2,2-trifluoroethyl)acetamide

2-[4-[1-(methylamino)ethyl]phenoxy]-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 61492639) has the molecular formula C13H17F3N2O2 and a molecular weight of 290.29 g/mol. Its IUPAC name is 2-[4-[1-(methylamino)ethyl]phenoxy]-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-[4-[1-(methylamino)ethyl]phenoxy]-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID61492639
Molecular FormulaC13H17F3N2O2
Molecular Weight290.29 g/mol
Exact Mass290.12
IUPAC Name2-[4-[1-(methylamino)ethyl]phenoxy]-N-(2,2,2-trifluoroethyl)acetamide
SMILESCNC(C)c1ccc(OCC(=O)NCC(F)(F)F)cc1
InChIInChI=1S/C13H17F3N2O2/c1-9(17-2)10-3-5-11(6-4-10)20-7-12(19)18-8-13(14,15)16/h3-6,9,17H,7-8H2,1-2H3,(H,18,19)
InChIKeyQSNZSTZTSSQMDP-UHFFFAOYSA-N
XLogP2.02
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.29
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-propan-2-ylphenoxy)-N-(2,2,2-trifluoroethyl)acetamide
CID 39951739
2-(4-pentylphenoxy)-N-(2,2,2-trifluoroethyl)acetamide
CID 112776801
1,1,1-trifluoro-3-[4-[1-(methylamino)ethyl]phenoxy]propan-2-ol
CID 63899797
2-(4-propan-2-ylphenoxy)-N-(2,2,2-trifluoroethoxy)acetamide
CID 81339847
2-(3,5-dimethylphenoxy)-N-(2,2,2-trifluoroethyl)acetamide
CID 60624693
2-hydroxy-2-methyl-3-[[2-(4-propan-2-ylphenoxy)acetyl]amino]propanoic acid
CID 66172185
2-[4-[(1S)-1-hydroxyethyl]-2-methoxyphenoxy]-N-(2,2,2-trifluoroethyl)acetamide
CID 78933804
2-(4-bromo-3-fluorophenoxy)-N-(2,2,2-trifluoroethyl)acetamide
CID 63999855
2-(4-ethoxyphenoxy)-N-[1-[4-(trifluoromethoxy)phenyl]ethyl]acetamide
CID 46547803
N-(2-cyclopropyl-2-hydroxypropyl)-2-(4-propan-2-ylphenoxy)acetamide
CID 90499307
2-(4-methoxyphenoxy)-N-[1-[4-(trifluoromethoxy)phenyl]ethyl]acetamide
CID 42957035
N-ethyl-2-[4-[(1R)-1-hydroxyethyl]phenoxy]acetamide
CID 63364320

Frequently Asked Questions

What is the IUPAC name of 2-[4-[1-(methylamino)ethyl]phenoxy]-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-[4-[1-(methylamino)ethyl]phenoxy]-N-(2,2,2-trifluoroethyl)acetamide (CID 61492639) is 2-[4-[1-(methylamino)ethyl]phenoxy]-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-[4-[1-(methylamino)ethyl]phenoxy]-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-[4-[1-(methylamino)ethyl]phenoxy]-N-(2,2,2-trifluoroethyl)acetamide is CNC(C)c1ccc(OCC(=O)NCC(F)(F)F)cc1.
What is the InChIKey of 2-[4-[1-(methylamino)ethyl]phenoxy]-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is QSNZSTZTSSQMDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F3N2O2/c1-9(17-2)10-3-5-11(6-4-10)20-7-12(19)18-8-13(14,15)16/h3-6,9,17H,7-8H2,1-2H3,(H,18,19).
What are the key properties of 2-[4-[1-(methylamino)ethyl]phenoxy]-N-(2,2,2-trifluoroethyl)acetamide?
2-[4-[1-(methylamino)ethyl]phenoxy]-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 290.29 g/mol, XLogP of 2.02, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[1-(methylamino)ethyl]phenoxy]-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 61492639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).