2-[2-fluoro-6-[(2-methoxyethylamino)methyl]phenoxy]-N-methylacetamide

C13H19FN2O3 — CID 112610886

IUPAC2-[2-fluoro-6-[(2-methoxyethylamino)methyl]phenoxy]-N-methylacetamide
SMILESCNC(=O)COc1c(F)cccc1CNCCOC
InChIInChI=1S/C13H19FN2O3/c1-15-12(17)9-19-13-10(4-3-5-11(13)14)8-16-6-7-18-2/h3-5,16H,6-9H2,1-2H3,(H,15,17)
InChIKeyWRFHVJAVPUTUGI-UHFFFAOYSA-N
MW270.30 g/mol
LogP0.69
Rot. Bonds8

About 2-[2-fluoro-6-[(2-methoxyethylamino)methyl]phenoxy]-N-methylacetamide

2-[2-fluoro-6-[(2-methoxyethylamino)methyl]phenoxy]-N-methylacetamide (PubChem CID 112610886) has the molecular formula C13H19FN2O3 and a molecular weight of 270.30 g/mol. Its IUPAC name is 2-[2-fluoro-6-[(2-methoxyethylamino)methyl]phenoxy]-N-methylacetamide.

Molecular Properties

Compound Name2-[2-fluoro-6-[(2-methoxyethylamino)methyl]phenoxy]-N-methylacetamide
PubChem CID112610886
Molecular FormulaC13H19FN2O3
Molecular Weight270.30 g/mol
Exact Mass270.14
IUPAC Name2-[2-fluoro-6-[(2-methoxyethylamino)methyl]phenoxy]-N-methylacetamide
SMILESCNC(=O)COc1c(F)cccc1CNCCOC
InChIInChI=1S/C13H19FN2O3/c1-15-12(17)9-19-13-10(4-3-5-11(13)14)8-16-6-7-18-2/h3-5,16H,6-9H2,1-2H3,(H,15,17)
InChIKeyWRFHVJAVPUTUGI-UHFFFAOYSA-N
XLogP0.69
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.30
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(cyanomethyl)-2-[2-fluoro-6-[(2-methoxyethylamino)methyl]phenoxy]acetamide
CID 115955367
2-[2-(ethylaminomethyl)-6-fluorophenoxy]-N-methylacetamide
CID 112609657
2-[2-bromo-6-[(2-methoxyethylamino)methyl]phenoxy]-N-methylacetamide
CID 55147795
ethyl 2-[2-fluoro-6-[(2-methoxyethylamino)methyl]phenoxy]acetate
CID 115955408
2-[2-fluoro-6-(hydroxymethyl)phenoxy]-N-methylacetamide
CID 112613129
3-[2-fluoro-6-[(2-methoxyethylamino)methyl]phenoxy]-2,2-dimethylpropanoic acid
CID 115955466
N-[(3-fluoro-2-pentoxyphenyl)methyl]-2-methoxyethanamine
CID 112610863
N-[[3-fluoro-2-(2-methylsulfonylethoxy)phenyl]methyl]-2-methoxyethanamine
CID 115955370
2-[2-(aminomethyl)-6-fluorophenoxy]-N-(2-methoxyethyl)acetamide
CID 112608108
2-[2-fluoro-6-[(2-methoxyethylamino)methyl]phenoxy]acetonitrile
CID 112610885
N-[(3-fluoro-2-phenylmethoxyphenyl)methyl]-2-methoxyethanamine
CID 112610838
3-[[2-fluoro-6-[(2-methoxyethylamino)methyl]phenoxy]methyl]pentan-3-ol
CID 114492355

Frequently Asked Questions

What is the IUPAC name of 2-[2-fluoro-6-[(2-methoxyethylamino)methyl]phenoxy]-N-methylacetamide?
The IUPAC name of 2-[2-fluoro-6-[(2-methoxyethylamino)methyl]phenoxy]-N-methylacetamide (CID 112610886) is 2-[2-fluoro-6-[(2-methoxyethylamino)methyl]phenoxy]-N-methylacetamide.
What is the SMILES notation for 2-[2-fluoro-6-[(2-methoxyethylamino)methyl]phenoxy]-N-methylacetamide?
The canonical SMILES for 2-[2-fluoro-6-[(2-methoxyethylamino)methyl]phenoxy]-N-methylacetamide is CNC(=O)COc1c(F)cccc1CNCCOC.
What is the InChIKey of 2-[2-fluoro-6-[(2-methoxyethylamino)methyl]phenoxy]-N-methylacetamide?
The InChIKey is WRFHVJAVPUTUGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2O3/c1-15-12(17)9-19-13-10(4-3-5-11(13)14)8-16-6-7-18-2/h3-5,16H,6-9H2,1-2H3,(H,15,17).
What are the key properties of 2-[2-fluoro-6-[(2-methoxyethylamino)methyl]phenoxy]-N-methylacetamide?
2-[2-fluoro-6-[(2-methoxyethylamino)methyl]phenoxy]-N-methylacetamide has a molecular weight of 270.30 g/mol, XLogP of 0.69, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-fluoro-6-[(2-methoxyethylamino)methyl]phenoxy]-N-methylacetamide is sourced from PubChem (CID 112610886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).