ethyl 2-[2-(aminomethyl)-5-fluoroanilino]acetate

C11H15FN2O2 — CID 91559008

IUPACethyl 2-[2-(aminomethyl)-5-fluoroanilino]acetate
SMILESCCOC(=O)CNc1cc(F)ccc1CN
InChIInChI=1S/C11H15FN2O2/c1-2-16-11(15)7-14-10-5-9(12)4-3-8(10)6-13/h3-5,14H,2,6-7,13H2,1H3
InChIKeySOOJACCPNPTJDJ-UHFFFAOYSA-N
MW226.25 g/mol
LogP1.26
Rot. Bonds5

About ethyl 2-[2-(aminomethyl)-5-fluoroanilino]acetate

ethyl 2-[2-(aminomethyl)-5-fluoroanilino]acetate (PubChem CID 91559008) has the molecular formula C11H15FN2O2 and a molecular weight of 226.25 g/mol. Its IUPAC name is ethyl 2-[2-(aminomethyl)-5-fluoroanilino]acetate.

Molecular Properties

Compound Nameethyl 2-[2-(aminomethyl)-5-fluoroanilino]acetate
PubChem CID91559008
Molecular FormulaC11H15FN2O2
Molecular Weight226.25 g/mol
Exact Mass226.11
IUPAC Nameethyl 2-[2-(aminomethyl)-5-fluoroanilino]acetate
SMILESCCOC(=O)CNc1cc(F)ccc1CN
InChIInChI=1S/C11H15FN2O2/c1-2-16-11(15)7-14-10-5-9(12)4-3-8(10)6-13/h3-5,14H,2,6-7,13H2,1H3
InChIKeySOOJACCPNPTJDJ-UHFFFAOYSA-N
XLogP1.26
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.25
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-[4-fluoro-2-(trifluoromethylsulfonyl)anilino]acetate
CID 62892305
1-[2-(aminomethyl)-5-fluorophenyl]-3-ethylurea
CID 82508247
ethyl 3-[[2-(aminomethyl)-4-fluorophenyl]methyl-methylamino]propanoate
CID 63380921
ethyl 2-(2-ethylanilino)acetate
CID 28583397
methyl 2-(2,5-difluoroanilino)acetate
CID 28574625
ethyl 2-(2,4,5-trimethylanilino)acetate
CID 115257207
ethyl 2-[(5-fluoro-2-methoxyphenyl)methylamino]acetate
CID 115257355
2-(2-ethoxy-2-oxoethyl)-5-fluorobenzoic acid
CID 169448838
ethyl 2-[(5-fluoro-1,3-benzothiazol-2-yl)amino]acetate
CID 60810692
ethyl 2-(2-chloro-5-fluoro-4-methylanilino)acetate
CID 115257255
ethyl 2-(2-chloro-5-methylanilino)acetate
CID 103768009
ethyl 2-(5-bromo-2-methylanilino)acetate
CID 43806067

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-(aminomethyl)-5-fluoroanilino]acetate?
The IUPAC name of ethyl 2-[2-(aminomethyl)-5-fluoroanilino]acetate (CID 91559008) is ethyl 2-[2-(aminomethyl)-5-fluoroanilino]acetate.
What is the SMILES notation for ethyl 2-[2-(aminomethyl)-5-fluoroanilino]acetate?
The canonical SMILES for ethyl 2-[2-(aminomethyl)-5-fluoroanilino]acetate is CCOC(=O)CNc1cc(F)ccc1CN.
What is the InChIKey of ethyl 2-[2-(aminomethyl)-5-fluoroanilino]acetate?
The InChIKey is SOOJACCPNPTJDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FN2O2/c1-2-16-11(15)7-14-10-5-9(12)4-3-8(10)6-13/h3-5,14H,2,6-7,13H2,1H3.
What are the key properties of ethyl 2-[2-(aminomethyl)-5-fluoroanilino]acetate?
ethyl 2-[2-(aminomethyl)-5-fluoroanilino]acetate has a molecular weight of 226.25 g/mol, XLogP of 1.26, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-(aminomethyl)-5-fluoroanilino]acetate is sourced from PubChem (CID 91559008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).