methyl 2-[2-methoxy-4-(methylaminomethyl)phenoxy]acetate

C12H17NO4 — CID 60882991

IUPACmethyl 2-[2-methoxy-4-(methylaminomethyl)phenoxy]acetate
SMILESCNCc1ccc(OCC(=O)OC)c(OC)c1
InChIInChI=1S/C12H17NO4/c1-13-7-9-4-5-10(11(6-9)15-2)17-8-12(14)16-3/h4-6,13H,7-8H2,1-3H3
InChIKeyPROHFYOKIBRSGI-UHFFFAOYSA-N
MW239.27 g/mol
LogP0.97
Rot. Bonds6

About methyl 2-[2-methoxy-4-(methylaminomethyl)phenoxy]acetate

methyl 2-[2-methoxy-4-(methylaminomethyl)phenoxy]acetate (PubChem CID 60882991) has the molecular formula C12H17NO4 and a molecular weight of 239.27 g/mol. Its IUPAC name is methyl 2-[2-methoxy-4-(methylaminomethyl)phenoxy]acetate.

Molecular Properties

Compound Namemethyl 2-[2-methoxy-4-(methylaminomethyl)phenoxy]acetate
PubChem CID60882991
Molecular FormulaC12H17NO4
Molecular Weight239.27 g/mol
Exact Mass239.12
IUPAC Namemethyl 2-[2-methoxy-4-(methylaminomethyl)phenoxy]acetate
SMILESCNCc1ccc(OCC(=O)OC)c(OC)c1
InChIInChI=1S/C12H17NO4/c1-13-7-9-4-5-10(11(6-9)15-2)17-8-12(14)16-3/h4-6,13H,7-8H2,1-3H3
InChIKeyPROHFYOKIBRSGI-UHFFFAOYSA-N
XLogP0.97
TPSA56.79 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 ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[2-fluoro-4-(methylaminomethyl)phenoxy]acetate
CID 107686567
methyl 2-[2,6-dimethoxy-4-(methylaminomethyl)phenoxy]acetate
CID 60889256
methyl 2-[4-[(cyclopropylamino)methyl]-2-methoxyphenoxy]acetate
CID 60881875
2-[2-methoxy-4-(methylaminomethyl)phenoxy]-N-phenylacetamide
CID 2982194
N-(2-methoxyethyl)-2-[2-methoxy-4-(methylaminomethyl)phenoxy]acetamide
CID 61487445
2-[2-methoxy-4-(methylaminomethyl)phenoxy]-N-(2,2,2-trifluoroethyl)acetamide
CID 61492602
2-[2-methoxy-5-(methylaminomethyl)phenoxy]-N-propan-2-ylacetamide
CID 43278726
1-[2-methoxy-4-(methylaminomethyl)phenoxy]propan-2-ol
CID 60881863
2-[4-[(tert-butylamino)methyl]-2-methoxyphenoxy]-N-methylacetamide
CID 63000645
1-[2-methoxy-4-(methylaminomethyl)phenoxy]-2,3-dimethylbutan-2-ol
CID 114491652
2-[2-methoxy-5-(methylaminomethyl)phenoxy]-N-(2-methylpropyl)acetamide
CID 43278737
methyl 2-(4-formyl-2-methoxyphenoxy)acetate
CID 882523

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-methoxy-4-(methylaminomethyl)phenoxy]acetate?
The IUPAC name of methyl 2-[2-methoxy-4-(methylaminomethyl)phenoxy]acetate (CID 60882991) is methyl 2-[2-methoxy-4-(methylaminomethyl)phenoxy]acetate.
What is the SMILES notation for methyl 2-[2-methoxy-4-(methylaminomethyl)phenoxy]acetate?
The canonical SMILES for methyl 2-[2-methoxy-4-(methylaminomethyl)phenoxy]acetate is CNCc1ccc(OCC(=O)OC)c(OC)c1.
What is the InChIKey of methyl 2-[2-methoxy-4-(methylaminomethyl)phenoxy]acetate?
The InChIKey is PROHFYOKIBRSGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO4/c1-13-7-9-4-5-10(11(6-9)15-2)17-8-12(14)16-3/h4-6,13H,7-8H2,1-3H3.
What are the key properties of methyl 2-[2-methoxy-4-(methylaminomethyl)phenoxy]acetate?
methyl 2-[2-methoxy-4-(methylaminomethyl)phenoxy]acetate has a molecular weight of 239.27 g/mol, XLogP of 0.97, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-methoxy-4-(methylaminomethyl)phenoxy]acetate is sourced from PubChem (CID 60882991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).