methyl 3-[2-(aminomethyl)-6-ethoxyphenoxy]propanoate

C13H19NO4 — CID 63949294

IUPACmethyl 3-[2-(aminomethyl)-6-ethoxyphenoxy]propanoate
SMILESCCOc1cccc(CN)c1OCCC(=O)OC
InChIInChI=1S/C13H19NO4/c1-3-17-11-6-4-5-10(9-14)13(11)18-8-7-12(15)16-2/h4-6H,3,7-9,14H2,1-2H3
InChIKeyAXYHORFJJCNDPD-UHFFFAOYSA-N
MW253.30 g/mol
LogP1.49
Rot. Bonds7

About methyl 3-[2-(aminomethyl)-6-ethoxyphenoxy]propanoate

methyl 3-[2-(aminomethyl)-6-ethoxyphenoxy]propanoate (PubChem CID 63949294) has the molecular formula C13H19NO4 and a molecular weight of 253.30 g/mol. Its IUPAC name is methyl 3-[2-(aminomethyl)-6-ethoxyphenoxy]propanoate.

Molecular Properties

Compound Namemethyl 3-[2-(aminomethyl)-6-ethoxyphenoxy]propanoate
PubChem CID63949294
Molecular FormulaC13H19NO4
Molecular Weight253.30 g/mol
Exact Mass253.13
IUPAC Namemethyl 3-[2-(aminomethyl)-6-ethoxyphenoxy]propanoate
SMILESCCOc1cccc(CN)c1OCCC(=O)OC
InChIInChI=1S/C13H19NO4/c1-3-17-11-6-4-5-10(9-14)13(11)18-8-7-12(15)16-2/h4-6H,3,7-9,14H2,1-2H3
InChIKeyAXYHORFJJCNDPD-UHFFFAOYSA-N
XLogP1.49
TPSA70.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 3-[2-(aminomethyl)-6-chlorophenoxy]propanoate
CID 112607628
methyl 4-[2-ethoxy-6-(ethylaminomethyl)phenoxy]butanoate
CID 60880960
3-[2-(aminomethyl)-6-methoxyphenoxy]-N-methylpropanamide
CID 55061826
2-[2-[2-(aminomethyl)-6-ethoxyphenoxy]ethoxy]ethanol
CID 61069210
methyl 4-[2-(aminomethyl)-6-chlorophenoxy]butanoate
CID 112607571
[3-ethoxy-2-(3-ethylsulfanylpropoxy)phenyl]methanamine
CID 113473255
2-[2-(aminomethyl)-6-ethoxyphenoxy]propanamide
CID 43366644
methyl 3-[2-(2-aminoethyl)-6-fluorophenoxy]propanoate
CID 112615251
5-[2-(aminomethyl)-6-ethoxyphenoxy]pentanenitrile
CID 54966365
methyl 3-[(2-ethoxyphenyl)methyl-methylamino]propanoate
CID 60965925
[3-ethoxy-2-(2-pyridin-2-ylethoxy)phenyl]methanamine
CID 60891453
[2-(2-ethoxyethoxy)-3-methoxyphenyl]methanamine
CID 43471409

Frequently Asked Questions

What is the IUPAC name of methyl 3-[2-(aminomethyl)-6-ethoxyphenoxy]propanoate?
The IUPAC name of methyl 3-[2-(aminomethyl)-6-ethoxyphenoxy]propanoate (CID 63949294) is methyl 3-[2-(aminomethyl)-6-ethoxyphenoxy]propanoate.
What is the SMILES notation for methyl 3-[2-(aminomethyl)-6-ethoxyphenoxy]propanoate?
The canonical SMILES for methyl 3-[2-(aminomethyl)-6-ethoxyphenoxy]propanoate is CCOc1cccc(CN)c1OCCC(=O)OC.
What is the InChIKey of methyl 3-[2-(aminomethyl)-6-ethoxyphenoxy]propanoate?
The InChIKey is AXYHORFJJCNDPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO4/c1-3-17-11-6-4-5-10(9-14)13(11)18-8-7-12(15)16-2/h4-6H,3,7-9,14H2,1-2H3.
What are the key properties of methyl 3-[2-(aminomethyl)-6-ethoxyphenoxy]propanoate?
methyl 3-[2-(aminomethyl)-6-ethoxyphenoxy]propanoate has a molecular weight of 253.30 g/mol, XLogP of 1.49, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[2-(aminomethyl)-6-ethoxyphenoxy]propanoate is sourced from PubChem (CID 63949294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).