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

C12H17NO4 — CID 61267782

IUPACethyl 2-[2-(aminomethyl)-5-methoxyphenoxy]acetate
SMILESCCOC(=O)COc1cc(OC)ccc1CN
InChIInChI=1S/C12H17NO4/c1-3-16-12(14)8-17-11-6-10(15-2)5-4-9(11)7-13/h4-6H,3,7-8,13H2,1-2H3
InChIKeyYTJJIYOUASMIQW-UHFFFAOYSA-N
MW239.27 g/mol
LogP1.10
Rot. Bonds6

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

ethyl 2-[2-(aminomethyl)-5-methoxyphenoxy]acetate (PubChem CID 61267782) has the molecular formula C12H17NO4 and a molecular weight of 239.27 g/mol. Its IUPAC name is ethyl 2-[2-(aminomethyl)-5-methoxyphenoxy]acetate.

Molecular Properties

Compound Nameethyl 2-[2-(aminomethyl)-5-methoxyphenoxy]acetate
PubChem CID61267782
Molecular FormulaC12H17NO4
Molecular Weight239.27 g/mol
Exact Mass239.12
IUPAC Nameethyl 2-[2-(aminomethyl)-5-methoxyphenoxy]acetate
SMILESCCOC(=O)COc1cc(OC)ccc1CN
InChIInChI=1S/C12H17NO4/c1-3-16-12(14)8-17-11-6-10(15-2)5-4-9(11)7-13/h4-6H,3,7-8,13H2,1-2H3
InChIKeyYTJJIYOUASMIQW-UHFFFAOYSA-N
XLogP1.10
TPSA70.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-(aminomethyl)-5-methoxyphenoxy]-N-pentan-3-ylacetamide
CID 61486869
2-[2-(aminomethyl)-5-methoxyphenoxy]-N-butylacetamide
CID 61485483
3-[2-(aminomethyl)-5-methoxyphenoxy]-N,N-dimethylpropanamide
CID 61269630
ethyl 2-[4-(2-bromoethyl)-3-methoxyphenoxy]acetate
CID 18620082
2-[2-(aminomethyl)-5-methoxyphenoxy]-N-(cyclopropylmethyl)acetamide
CID 61267401
[4-methoxy-2-(3-methylbut-2-enoxy)phenyl]methanamine
CID 61268524
ethyl 2-[2-(1-cyanoprop-1-en-2-yl)-5-methoxyphenoxy]acetate
CID 67323793
ethyl 4-(2,4-dimethoxyphenyl)-3-oxobutanoate
CID 45156317
[4-methoxy-2-[(2,4,6-trimethylphenyl)methoxy]phenyl]methanamine
CID 62543773
2-[2-(2-aminoethyl)-5-methoxyphenoxy]-N-ethyl-N-methylacetamide
CID 61268758
ethyl 4-(2-chloro-5-methoxyphenoxy)-3-oxobutanoate
CID 86748689
methyl 2-[2-(2-ethoxy-2-oxoethoxy)-4-methoxyphenyl]-4-oxobutanoate
CID 54473512

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-(aminomethyl)-5-methoxyphenoxy]acetate?
The IUPAC name of ethyl 2-[2-(aminomethyl)-5-methoxyphenoxy]acetate (CID 61267782) is ethyl 2-[2-(aminomethyl)-5-methoxyphenoxy]acetate.
What is the SMILES notation for ethyl 2-[2-(aminomethyl)-5-methoxyphenoxy]acetate?
The canonical SMILES for ethyl 2-[2-(aminomethyl)-5-methoxyphenoxy]acetate is CCOC(=O)COc1cc(OC)ccc1CN.
What is the InChIKey of ethyl 2-[2-(aminomethyl)-5-methoxyphenoxy]acetate?
The InChIKey is YTJJIYOUASMIQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO4/c1-3-16-12(14)8-17-11-6-10(15-2)5-4-9(11)7-13/h4-6H,3,7-8,13H2,1-2H3.
What are the key properties of ethyl 2-[2-(aminomethyl)-5-methoxyphenoxy]acetate?
ethyl 2-[2-(aminomethyl)-5-methoxyphenoxy]acetate has a molecular weight of 239.27 g/mol, XLogP of 1.10, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-(aminomethyl)-5-methoxyphenoxy]acetate is sourced from PubChem (CID 61267782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).