methyl 2-[2-(ethylaminomethyl)-6-fluorophenoxy]acetate

C12H16FNO3 — CID 112609552

IUPACmethyl 2-[2-(ethylaminomethyl)-6-fluorophenoxy]acetate
SMILESCCNCc1cccc(F)c1OCC(=O)OC
InChIInChI=1S/C12H16FNO3/c1-3-14-7-9-5-4-6-10(13)12(9)17-8-11(15)16-2/h4-6,14H,3,7-8H2,1-2H3
InChIKeyNJICSQLADVYLJR-UHFFFAOYSA-N
MW241.26 g/mol
LogP1.49
Rot. Bonds6

About methyl 2-[2-(ethylaminomethyl)-6-fluorophenoxy]acetate

methyl 2-[2-(ethylaminomethyl)-6-fluorophenoxy]acetate (PubChem CID 112609552) has the molecular formula C12H16FNO3 and a molecular weight of 241.26 g/mol. Its IUPAC name is methyl 2-[2-(ethylaminomethyl)-6-fluorophenoxy]acetate.

Molecular Properties

Compound Namemethyl 2-[2-(ethylaminomethyl)-6-fluorophenoxy]acetate
PubChem CID112609552
Molecular FormulaC12H16FNO3
Molecular Weight241.26 g/mol
Exact Mass241.11
IUPAC Namemethyl 2-[2-(ethylaminomethyl)-6-fluorophenoxy]acetate
SMILESCCNCc1cccc(F)c1OCC(=O)OC
InChIInChI=1S/C12H16FNO3/c1-3-14-7-9-5-4-6-10(13)12(9)17-8-11(15)16-2/h4-6,14H,3,7-8H2,1-2H3
InChIKeyNJICSQLADVYLJR-UHFFFAOYSA-N
XLogP1.49
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.26
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[2-[(tert-butylamino)methyl]-6-fluorophenoxy]acetate
CID 112610729
2-[2-(ethylaminomethyl)-6-fluorophenoxy]-N-methylacetamide
CID 112609657
2-[2-(ethylaminomethyl)-6-fluorophenoxy]-N-(2-methylbutan-2-yl)acetamide
CID 115953315
ethyl 2-[2-fluoro-6-[(2-methoxyethylamino)methyl]phenoxy]acetate
CID 115955408
N-[[3-fluoro-2-(3-methoxypropoxy)phenyl]methyl]ethanamine
CID 112609648
2-[2-(ethylaminomethyl)-6-fluorophenoxy]-1-piperidin-1-ylethanone
CID 115953353
N-[[2-[(2,3-difluorophenyl)methoxy]-3-fluorophenyl]methyl]ethanamine
CID 115953355
3-[2-(ethylaminomethyl)-6-fluorophenoxy]-2-methylpropanamide
CID 112609547
3-[2-(ethylaminomethyl)-6-fluorophenoxy]-1,1,1-trifluoropropan-2-ol
CID 112609565
N-[[3-fluoro-2-[(2-methylphenyl)methoxy]phenyl]methyl]ethanamine
CID 115953307
N-[[3-fluoro-2-(3-methoxy-3-methylbutoxy)phenyl]methyl]ethanamine
CID 103032899
2-[2-fluoro-6-[(2-methoxyethylamino)methyl]phenoxy]-N-methylacetamide
CID 112610886

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-(ethylaminomethyl)-6-fluorophenoxy]acetate?
The IUPAC name of methyl 2-[2-(ethylaminomethyl)-6-fluorophenoxy]acetate (CID 112609552) is methyl 2-[2-(ethylaminomethyl)-6-fluorophenoxy]acetate.
What is the SMILES notation for methyl 2-[2-(ethylaminomethyl)-6-fluorophenoxy]acetate?
The canonical SMILES for methyl 2-[2-(ethylaminomethyl)-6-fluorophenoxy]acetate is CCNCc1cccc(F)c1OCC(=O)OC.
What is the InChIKey of methyl 2-[2-(ethylaminomethyl)-6-fluorophenoxy]acetate?
The InChIKey is NJICSQLADVYLJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FNO3/c1-3-14-7-9-5-4-6-10(13)12(9)17-8-11(15)16-2/h4-6,14H,3,7-8H2,1-2H3.
What are the key properties of methyl 2-[2-(ethylaminomethyl)-6-fluorophenoxy]acetate?
methyl 2-[2-(ethylaminomethyl)-6-fluorophenoxy]acetate has a molecular weight of 241.26 g/mol, XLogP of 1.49, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-(ethylaminomethyl)-6-fluorophenoxy]acetate is sourced from PubChem (CID 112609552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).