methyl 2-[2,6-dimethoxy-4-(methylaminomethyl)phenoxy]acetate

C13H19NO5 — CID 60889256

IUPACmethyl 2-[2,6-dimethoxy-4-(methylaminomethyl)phenoxy]acetate
SMILESCNCc1cc(OC)c(OCC(=O)OC)c(OC)c1
InChIInChI=1S/C13H19NO5/c1-14-7-9-5-10(16-2)13(11(6-9)17-3)19-8-12(15)18-4/h5-6,14H,7-8H2,1-4H3
InChIKeyGQEKXNMXHZWVGA-UHFFFAOYSA-N
MW269.30 g/mol
LogP0.98
Rot. Bonds7

About methyl 2-[2,6-dimethoxy-4-(methylaminomethyl)phenoxy]acetate

methyl 2-[2,6-dimethoxy-4-(methylaminomethyl)phenoxy]acetate (PubChem CID 60889256) has the molecular formula C13H19NO5 and a molecular weight of 269.30 g/mol. Its IUPAC name is methyl 2-[2,6-dimethoxy-4-(methylaminomethyl)phenoxy]acetate.

Molecular Properties

Compound Namemethyl 2-[2,6-dimethoxy-4-(methylaminomethyl)phenoxy]acetate
PubChem CID60889256
Molecular FormulaC13H19NO5
Molecular Weight269.30 g/mol
Exact Mass269.13
IUPAC Namemethyl 2-[2,6-dimethoxy-4-(methylaminomethyl)phenoxy]acetate
SMILESCNCc1cc(OC)c(OCC(=O)OC)c(OC)c1
InChIInChI=1S/C13H19NO5/c1-14-7-9-5-10(16-2)13(11(6-9)17-3)19-8-12(15)18-4/h5-6,14H,7-8H2,1-4H3
InChIKeyGQEKXNMXHZWVGA-UHFFFAOYSA-N
XLogP0.98
TPSA66.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 2-[2-methoxy-4-(methylaminomethyl)phenoxy]acetate
CID 60882991
3-[2,6-dimethoxy-4-(methylaminomethyl)phenoxy]-N-methylpropanamide
CID 62326748
1-[4-(2,3-dichloroprop-2-enoxy)-3,5-dimethoxyphenyl]-N-methylmethanamine
CID 79167417
2-[2-bromo-6-methoxy-4-(methylaminomethyl)phenoxy]-N-methylacetamide
CID 43622304
N-methyl-1-(3,4,5-trimethoxyphenyl)methanamine
CID 521855
methyl 2-[2-bromo-4-(hydroxymethyl)-6-methoxyphenoxy]acetate
CID 43622677
1-[3,5-dimethoxy-4-(3-methoxypropoxy)phenyl]-N-methylmethanamine
CID 54936066
methyl 2-[2-fluoro-4-(methylaminomethyl)phenoxy]acetate
CID 107686567
methyl 3-[2-bromo-6-methoxy-4-(methylaminomethyl)phenoxy]-2,2-dimethylpropanoate
CID 79620889
2-[2-chloro-6-methoxy-4-(methylaminomethyl)phenoxy]-1-pyrrolidin-1-ylethanone
CID 43276523
methyl 2-[4-(2-aminoethyl)-2-chloro-6-methoxyphenoxy]acetate
CID 54931047
1-[4-(3-ethoxypropoxy)-3,5-dimethoxyphenyl]-N-methylmethanamine
CID 65176513

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2,6-dimethoxy-4-(methylaminomethyl)phenoxy]acetate?
The IUPAC name of methyl 2-[2,6-dimethoxy-4-(methylaminomethyl)phenoxy]acetate (CID 60889256) is methyl 2-[2,6-dimethoxy-4-(methylaminomethyl)phenoxy]acetate.
What is the SMILES notation for methyl 2-[2,6-dimethoxy-4-(methylaminomethyl)phenoxy]acetate?
The canonical SMILES for methyl 2-[2,6-dimethoxy-4-(methylaminomethyl)phenoxy]acetate is CNCc1cc(OC)c(OCC(=O)OC)c(OC)c1.
What is the InChIKey of methyl 2-[2,6-dimethoxy-4-(methylaminomethyl)phenoxy]acetate?
The InChIKey is GQEKXNMXHZWVGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO5/c1-14-7-9-5-10(16-2)13(11(6-9)17-3)19-8-12(15)18-4/h5-6,14H,7-8H2,1-4H3.
What are the key properties of methyl 2-[2,6-dimethoxy-4-(methylaminomethyl)phenoxy]acetate?
methyl 2-[2,6-dimethoxy-4-(methylaminomethyl)phenoxy]acetate has a molecular weight of 269.30 g/mol, XLogP of 0.98, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2,6-dimethoxy-4-(methylaminomethyl)phenoxy]acetate is sourced from PubChem (CID 60889256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).