N-ethyl-2-[2-(ethylaminomethyl)-4-fluorophenoxy]acetamide

C13H19FN2O2 — CID 107695692

IUPACN-ethyl-2-[2-(ethylaminomethyl)-4-fluorophenoxy]acetamide
SMILESCCNCc1cc(F)ccc1OCC(=O)NCC
InChIInChI=1S/C13H19FN2O2/c1-3-15-8-10-7-11(14)5-6-12(10)18-9-13(17)16-4-2/h5-7,15H,3-4,8-9H2,1-2H3,(H,16,17)
InChIKeyIMPPRUPSLUAANW-UHFFFAOYSA-N
MW254.30 g/mol
LogP1.45
Rot. Bonds7

About N-ethyl-2-[2-(ethylaminomethyl)-4-fluorophenoxy]acetamide

N-ethyl-2-[2-(ethylaminomethyl)-4-fluorophenoxy]acetamide (PubChem CID 107695692) has the molecular formula C13H19FN2O2 and a molecular weight of 254.30 g/mol. Its IUPAC name is N-ethyl-2-[2-(ethylaminomethyl)-4-fluorophenoxy]acetamide.

Molecular Properties

Compound NameN-ethyl-2-[2-(ethylaminomethyl)-4-fluorophenoxy]acetamide
PubChem CID107695692
Molecular FormulaC13H19FN2O2
Molecular Weight254.30 g/mol
Exact Mass254.14
IUPAC NameN-ethyl-2-[2-(ethylaminomethyl)-4-fluorophenoxy]acetamide
SMILESCCNCc1cc(F)ccc1OCC(=O)NCC
InChIInChI=1S/C13H19FN2O2/c1-3-15-8-10-7-11(14)5-6-12(10)18-9-13(17)16-4-2/h5-7,15H,3-4,8-9H2,1-2H3,(H,16,17)
InChIKeyIMPPRUPSLUAANW-UHFFFAOYSA-N
XLogP1.45
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.30
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(ethylaminomethyl)-4-fluorophenoxy]-N-pentan-3-ylacetamide
CID 107695704
2-[4-fluoro-2-(propylaminomethyl)phenoxy]-N-propan-2-ylacetamide
CID 107695944
2-[4-fluoro-2-(hydroxymethyl)phenoxy]-N-prop-2-ynylacetamide
CID 107698541
2-[2-[(tert-butylamino)methyl]-4-chlorophenoxy]-N-ethylacetamide
CID 63058398
2-[2-(ethylaminomethyl)-4-methoxyphenoxy]-N-(2-methoxyethyl)acetamide
CID 61487646
N-[[5-fluoro-2-(4-fluorophenoxy)phenyl]methyl]ethanamine
CID 43314233
N-[[2-(2,4-difluorophenoxy)-5-fluorophenyl]methyl]ethanamine
CID 43314106
N-ethyl-2-[4-[[2-(3-fluorophenyl)ethylamino]methyl]-2-methoxyphenoxy]acetamide
CID 119109393
2-(2-acetyl-4-fluorophenoxy)-N-propylacetamide
CID 71628000
N-[[2-[(2,6-dimethylphenyl)methoxy]-5-fluorophenyl]methyl]ethanamine
CID 107695600
N-[[2-[(3,4-difluorophenyl)methoxy]-5-fluorophenyl]methyl]ethanamine
CID 107695461
2-[4-fluoro-2-(hydroxymethyl)phenoxy]-N-(2,2,2-trifluoroethyl)acetamide
CID 107698258

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[2-(ethylaminomethyl)-4-fluorophenoxy]acetamide?
The IUPAC name of N-ethyl-2-[2-(ethylaminomethyl)-4-fluorophenoxy]acetamide (CID 107695692) is N-ethyl-2-[2-(ethylaminomethyl)-4-fluorophenoxy]acetamide.
What is the SMILES notation for N-ethyl-2-[2-(ethylaminomethyl)-4-fluorophenoxy]acetamide?
The canonical SMILES for N-ethyl-2-[2-(ethylaminomethyl)-4-fluorophenoxy]acetamide is CCNCc1cc(F)ccc1OCC(=O)NCC.
What is the InChIKey of N-ethyl-2-[2-(ethylaminomethyl)-4-fluorophenoxy]acetamide?
The InChIKey is IMPPRUPSLUAANW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2O2/c1-3-15-8-10-7-11(14)5-6-12(10)18-9-13(17)16-4-2/h5-7,15H,3-4,8-9H2,1-2H3,(H,16,17).
What are the key properties of N-ethyl-2-[2-(ethylaminomethyl)-4-fluorophenoxy]acetamide?
N-ethyl-2-[2-(ethylaminomethyl)-4-fluorophenoxy]acetamide has a molecular weight of 254.30 g/mol, XLogP of 1.45, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[2-(ethylaminomethyl)-4-fluorophenoxy]acetamide is sourced from PubChem (CID 107695692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).