ethyl 2-[(5-fluoro-2-methoxyphenyl)methylamino]acetate

C12H16FNO3 — CID 115257355

IUPACethyl 2-[(5-fluoro-2-methoxyphenyl)methylamino]acetate
SMILESCCOC(=O)CNCc1cc(F)ccc1OC
InChIInChI=1S/C12H16FNO3/c1-3-17-12(15)8-14-7-9-6-10(13)4-5-11(9)16-2/h4-6,14H,3,7-8H2,1-2H3
InChIKeyWWFOIGDNASJFPS-UHFFFAOYSA-N
MW241.26 g/mol
LogP1.49
Rot. Bonds6

About ethyl 2-[(5-fluoro-2-methoxyphenyl)methylamino]acetate

ethyl 2-[(5-fluoro-2-methoxyphenyl)methylamino]acetate (PubChem CID 115257355) has the molecular formula C12H16FNO3 and a molecular weight of 241.26 g/mol. Its IUPAC name is ethyl 2-[(5-fluoro-2-methoxyphenyl)methylamino]acetate.

Molecular Properties

Compound Nameethyl 2-[(5-fluoro-2-methoxyphenyl)methylamino]acetate
PubChem CID115257355
Molecular FormulaC12H16FNO3
Molecular Weight241.26 g/mol
Exact Mass241.11
IUPAC Nameethyl 2-[(5-fluoro-2-methoxyphenyl)methylamino]acetate
SMILESCCOC(=O)CNCc1cc(F)ccc1OC
InChIInChI=1S/C12H16FNO3/c1-3-17-12(15)8-14-7-9-6-10(13)4-5-11(9)16-2/h4-6,14H,3,7-8H2,1-2H3
InChIKeyWWFOIGDNASJFPS-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

ethyl 2-[3-[2-(ethylaminomethyl)-4-fluorophenyl]-4-methoxyphenyl]acetate
CID 58149135
methyl 2-[(2,5-difluorophenyl)methylamino]acetate
CID 43312522
ethyl 2-[(3-chloro-4-methoxyphenyl)methylamino]acetate
CID 65021849
ethyl 2-[2-(2,5-dimethoxyphenyl)ethylamino]acetate
CID 115257468
ethyl 2-[(3,4,5-trimethoxyphenyl)methylamino]acetate
CID 23052527
2-amino-N-[(5-fluoro-2-methoxyphenyl)methyl]acetamide
CID 82126824
1-amino-N-[(5-fluoro-2-methoxyphenyl)methyl]cyclopropane-1-carboxamide
CID 115189779
2-[(5-fluoro-2-methoxyphenyl)methylamino]acetonitrile
CID 115130950
N-[(5-fluoro-2-methoxyphenyl)methyl]-2-oxopropanamide
CID 115175593
4-[[(5-fluoro-2-methoxyphenyl)methylamino]methyl]cyclohexan-1-amine
CID 115213425
N-[(5-fluoro-2-methoxyphenyl)methyl]-2-(2-methoxyphenyl)acetamide
CID 110780208
ethyl 2-[(2-amino-5-methylphenyl)methylamino]acetate
CID 86217931

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(5-fluoro-2-methoxyphenyl)methylamino]acetate?
The IUPAC name of ethyl 2-[(5-fluoro-2-methoxyphenyl)methylamino]acetate (CID 115257355) is ethyl 2-[(5-fluoro-2-methoxyphenyl)methylamino]acetate.
What is the SMILES notation for ethyl 2-[(5-fluoro-2-methoxyphenyl)methylamino]acetate?
The canonical SMILES for ethyl 2-[(5-fluoro-2-methoxyphenyl)methylamino]acetate is CCOC(=O)CNCc1cc(F)ccc1OC.
What is the InChIKey of ethyl 2-[(5-fluoro-2-methoxyphenyl)methylamino]acetate?
The InChIKey is WWFOIGDNASJFPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FNO3/c1-3-17-12(15)8-14-7-9-6-10(13)4-5-11(9)16-2/h4-6,14H,3,7-8H2,1-2H3.
What are the key properties of ethyl 2-[(5-fluoro-2-methoxyphenyl)methylamino]acetate?
ethyl 2-[(5-fluoro-2-methoxyphenyl)methylamino]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 ethyl 2-[(5-fluoro-2-methoxyphenyl)methylamino]acetate is sourced from PubChem (CID 115257355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).