ethyl 2-[3-(methylaminomethyl)phenoxy]acetate

C12H17NO3 — CID 60882222

IUPACethyl 2-[3-(methylaminomethyl)phenoxy]acetate
SMILESCCOC(=O)COc1cccc(CNC)c1
InChIInChI=1S/C12H17NO3/c1-3-15-12(14)9-16-11-6-4-5-10(7-11)8-13-2/h4-7,13H,3,8-9H2,1-2H3
InChIKeyBXUAUTKYBUKDMU-UHFFFAOYSA-N
MW223.27 g/mol
LogP1.35
Rot. Bonds6

About ethyl 2-[3-(methylaminomethyl)phenoxy]acetate

ethyl 2-[3-(methylaminomethyl)phenoxy]acetate (PubChem CID 60882222) has the molecular formula C12H17NO3 and a molecular weight of 223.27 g/mol. Its IUPAC name is ethyl 2-[3-(methylaminomethyl)phenoxy]acetate.

Molecular Properties

Compound Nameethyl 2-[3-(methylaminomethyl)phenoxy]acetate
PubChem CID60882222
Molecular FormulaC12H17NO3
Molecular Weight223.27 g/mol
Exact Mass223.12
IUPAC Nameethyl 2-[3-(methylaminomethyl)phenoxy]acetate
SMILESCCOC(=O)COc1cccc(CNC)c1
InChIInChI=1S/C12H17NO3/c1-3-15-12(14)9-16-11-6-4-5-10(7-11)8-13-2/h4-7,13H,3,8-9H2,1-2H3
InChIKeyBXUAUTKYBUKDMU-UHFFFAOYSA-N
XLogP1.35
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.27
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-[3-(2-oxopropyl)phenoxy]acetate
CID 59846798
2-[3-(methylaminomethyl)phenoxy]-N-propylacetamide
CID 43278288
ethyl 2-[(3-propoxyphenyl)methylamino]acetate
CID 54901935
methyl 2-[3-(ethylaminomethyl)phenoxy]acetate
CID 60882225
methyl N-[2-[3-(methylaminomethyl)phenoxy]acetyl]carbamate
CID 106486093
ethyl 2-[4-[(3-methoxyphenyl)methylcarbamoylamino]phenoxy]acetate
CID 99783925
2-[3-(methylaminomethyl)phenoxy]-N-(propylcarbamoyl)acetamide
CID 106486086
ethyl 2-[3-(2-methylpropoxy)phenoxy]acetate
CID 86689297
propyl 2-(3-ethylphenoxy)acetate
CID 71628037
methyl 2,2-dimethyl-3-[3-(methylaminomethyl)phenoxy]propanoate
CID 79629983
1-[3-[(E)-3-chloro-2-methylprop-2-enoxy]phenyl]-N-methylmethanamine
CID 106436789
methyl 2-[3-[2-(methylamino)ethyl]phenoxy]acetate
CID 59419918

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[3-(methylaminomethyl)phenoxy]acetate?
The IUPAC name of ethyl 2-[3-(methylaminomethyl)phenoxy]acetate (CID 60882222) is ethyl 2-[3-(methylaminomethyl)phenoxy]acetate.
What is the SMILES notation for ethyl 2-[3-(methylaminomethyl)phenoxy]acetate?
The canonical SMILES for ethyl 2-[3-(methylaminomethyl)phenoxy]acetate is CCOC(=O)COc1cccc(CNC)c1.
What is the InChIKey of ethyl 2-[3-(methylaminomethyl)phenoxy]acetate?
The InChIKey is BXUAUTKYBUKDMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO3/c1-3-15-12(14)9-16-11-6-4-5-10(7-11)8-13-2/h4-7,13H,3,8-9H2,1-2H3.
What are the key properties of ethyl 2-[3-(methylaminomethyl)phenoxy]acetate?
ethyl 2-[3-(methylaminomethyl)phenoxy]acetate has a molecular weight of 223.27 g/mol, XLogP of 1.35, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[3-(methylaminomethyl)phenoxy]acetate is sourced from PubChem (CID 60882222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).