ethyl 2-[2-fluoro-6-[(2-methoxyethylamino)methyl]phenoxy]acetate

C14H20FNO4 — CID 115955408

IUPACethyl 2-[2-fluoro-6-[(2-methoxyethylamino)methyl]phenoxy]acetate
SMILESCCOC(=O)COc1c(F)cccc1CNCCOC
InChIInChI=1S/C14H20FNO4/c1-3-19-13(17)10-20-14-11(5-4-6-12(14)15)9-16-7-8-18-2/h4-6,16H,3,7-10H2,1-2H3
InChIKeyOTSPBGXKPZOUEM-UHFFFAOYSA-N
MW285.31 g/mol
LogP1.50
Rot. Bonds9

About ethyl 2-[2-fluoro-6-[(2-methoxyethylamino)methyl]phenoxy]acetate

ethyl 2-[2-fluoro-6-[(2-methoxyethylamino)methyl]phenoxy]acetate (PubChem CID 115955408) has the molecular formula C14H20FNO4 and a molecular weight of 285.31 g/mol. Its IUPAC name is ethyl 2-[2-fluoro-6-[(2-methoxyethylamino)methyl]phenoxy]acetate.

Molecular Properties

Compound Nameethyl 2-[2-fluoro-6-[(2-methoxyethylamino)methyl]phenoxy]acetate
PubChem CID115955408
Molecular FormulaC14H20FNO4
Molecular Weight285.31 g/mol
Exact Mass285.14
IUPAC Nameethyl 2-[2-fluoro-6-[(2-methoxyethylamino)methyl]phenoxy]acetate
SMILESCCOC(=O)COc1c(F)cccc1CNCCOC
InChIInChI=1S/C14H20FNO4/c1-3-19-13(17)10-20-14-11(5-4-6-12(14)15)9-16-7-8-18-2/h4-6,16H,3,7-10H2,1-2H3
InChIKeyOTSPBGXKPZOUEM-UHFFFAOYSA-N
XLogP1.50
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.31
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[2-fluoro-6-[(2-methoxyethylamino)methyl]phenoxy]-N-methylacetamide
CID 112610886
methyl 2-[2-(ethylaminomethyl)-6-fluorophenoxy]acetate
CID 112609552
N-(cyanomethyl)-2-[2-fluoro-6-[(2-methoxyethylamino)methyl]phenoxy]acetamide
CID 115955367
N-[(3-fluoro-2-pentoxyphenyl)methyl]-2-methoxyethanamine
CID 112610863
3-[2-fluoro-6-[(2-methoxyethylamino)methyl]phenoxy]-2,2-dimethylpropanoic acid
CID 115955466
3-[[2-fluoro-6-[(2-methoxyethylamino)methyl]phenoxy]methyl]pentan-3-ol
CID 114492355
N-carbamoyl-2-[2-fluoro-6-(propylaminomethyl)phenoxy]acetamide
CID 115953491
N-[[3-fluoro-2-(2-methylsulfonylethoxy)phenyl]methyl]-2-methoxyethanamine
CID 115955370
2-[2-fluoro-6-[(2-methoxyethylamino)methyl]phenoxy]acetonitrile
CID 112610885
N-[(3-fluoro-2-phenylmethoxyphenyl)methyl]-2-methoxyethanamine
CID 112610838
N-[[3-fluoro-2-(3-methoxypropoxy)phenyl]methyl]ethanamine
CID 112609648
2-[2-(aminomethyl)-6-fluorophenoxy]-N-(2-methoxyethyl)acetamide
CID 112608108

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-fluoro-6-[(2-methoxyethylamino)methyl]phenoxy]acetate?
The IUPAC name of ethyl 2-[2-fluoro-6-[(2-methoxyethylamino)methyl]phenoxy]acetate (CID 115955408) is ethyl 2-[2-fluoro-6-[(2-methoxyethylamino)methyl]phenoxy]acetate.
What is the SMILES notation for ethyl 2-[2-fluoro-6-[(2-methoxyethylamino)methyl]phenoxy]acetate?
The canonical SMILES for ethyl 2-[2-fluoro-6-[(2-methoxyethylamino)methyl]phenoxy]acetate is CCOC(=O)COc1c(F)cccc1CNCCOC.
What is the InChIKey of ethyl 2-[2-fluoro-6-[(2-methoxyethylamino)methyl]phenoxy]acetate?
The InChIKey is OTSPBGXKPZOUEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO4/c1-3-19-13(17)10-20-14-11(5-4-6-12(14)15)9-16-7-8-18-2/h4-6,16H,3,7-10H2,1-2H3.
What are the key properties of ethyl 2-[2-fluoro-6-[(2-methoxyethylamino)methyl]phenoxy]acetate?
ethyl 2-[2-fluoro-6-[(2-methoxyethylamino)methyl]phenoxy]acetate has a molecular weight of 285.31 g/mol, XLogP of 1.50, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-fluoro-6-[(2-methoxyethylamino)methyl]phenoxy]acetate is sourced from PubChem (CID 115955408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).