3-[2-ethoxy-6-(methylaminomethyl)phenoxy]-2,2-dimethylpropanoic acid

C15H23NO4 — CID 79629790

IUPAC3-[2-ethoxy-6-(methylaminomethyl)phenoxy]-2,2-dimethylpropanoic acid
SMILESCCOc1cccc(CNC)c1OCC(C)(C)C(=O)O
InChIInChI=1S/C15H23NO4/c1-5-19-12-8-6-7-11(9-16-4)13(12)20-10-15(2,3)14(17)18/h6-8,16H,5,9-10H2,1-4H3,(H,17,18)
InChIKeyKJIYSDOHFKYMCC-UHFFFAOYSA-N
MW281.35 g/mol
LogP2.29
Rot. Bonds8

About 3-[2-ethoxy-6-(methylaminomethyl)phenoxy]-2,2-dimethylpropanoic acid

3-[2-ethoxy-6-(methylaminomethyl)phenoxy]-2,2-dimethylpropanoic acid (PubChem CID 79629790) has the molecular formula C15H23NO4 and a molecular weight of 281.35 g/mol. Its IUPAC name is 3-[2-ethoxy-6-(methylaminomethyl)phenoxy]-2,2-dimethylpropanoic acid.

Molecular Properties

Compound Name3-[2-ethoxy-6-(methylaminomethyl)phenoxy]-2,2-dimethylpropanoic acid
PubChem CID79629790
Molecular FormulaC15H23NO4
Molecular Weight281.35 g/mol
Exact Mass281.16
IUPAC Name3-[2-ethoxy-6-(methylaminomethyl)phenoxy]-2,2-dimethylpropanoic acid
SMILESCCOc1cccc(CNC)c1OCC(C)(C)C(=O)O
InChIInChI=1S/C15H23NO4/c1-5-19-12-8-6-7-11(9-16-4)13(12)20-10-15(2,3)14(17)18/h6-8,16H,5,9-10H2,1-4H3,(H,17,18)
InChIKeyKJIYSDOHFKYMCC-UHFFFAOYSA-N
XLogP2.29
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.35
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-carboxy-2-methylpropoxy)-3-ethoxybenzoic acid
CID 79624013
3-[[2-ethoxy-6-(methylaminomethyl)phenoxy]methyl]pentan-3-ol
CID 114491680
3-(2-ethoxy-6-formylphenoxy)-2,2-dimethylpropanoic acid
CID 79624513
3-(2-ethoxyphenoxy)-2,2-dimethylpropanoic acid
CID 20985587
1-(3-ethoxy-2-propoxyphenyl)-N-methylmethanamine
CID 43213948
1-[2-ethoxy-6-(methylaminomethyl)phenoxy]propan-2-ol
CID 60881141
3-[2-(hydroxymethyl)-6-methoxyphenoxy]-2,2-dimethylpropanoic acid
CID 79623918
1-[2-ethoxy-6-(ethylaminomethyl)phenoxy]-2-methylpropan-2-ol
CID 60881705
1-[2-(2-chloroprop-2-enoxy)-3-ethoxyphenyl]-N-methylmethanamine
CID 60881702
4-[(2-ethoxyphenyl)methylamino]-2,2-dimethyl-4-oxobutanoic acid
CID 119133691
2-[2-ethoxy-6-(ethylaminomethyl)phenoxy]acetic acid
CID 102535781
3-(2-ethoxyphenyl)-2,2-dimethylpropanoic acid
CID 82286918

Frequently Asked Questions

What is the IUPAC name of 3-[2-ethoxy-6-(methylaminomethyl)phenoxy]-2,2-dimethylpropanoic acid?
The IUPAC name of 3-[2-ethoxy-6-(methylaminomethyl)phenoxy]-2,2-dimethylpropanoic acid (CID 79629790) is 3-[2-ethoxy-6-(methylaminomethyl)phenoxy]-2,2-dimethylpropanoic acid.
What is the SMILES notation for 3-[2-ethoxy-6-(methylaminomethyl)phenoxy]-2,2-dimethylpropanoic acid?
The canonical SMILES for 3-[2-ethoxy-6-(methylaminomethyl)phenoxy]-2,2-dimethylpropanoic acid is CCOc1cccc(CNC)c1OCC(C)(C)C(=O)O.
What is the InChIKey of 3-[2-ethoxy-6-(methylaminomethyl)phenoxy]-2,2-dimethylpropanoic acid?
The InChIKey is KJIYSDOHFKYMCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO4/c1-5-19-12-8-6-7-11(9-16-4)13(12)20-10-15(2,3)14(17)18/h6-8,16H,5,9-10H2,1-4H3,(H,17,18).
What are the key properties of 3-[2-ethoxy-6-(methylaminomethyl)phenoxy]-2,2-dimethylpropanoic acid?
3-[2-ethoxy-6-(methylaminomethyl)phenoxy]-2,2-dimethylpropanoic acid has a molecular weight of 281.35 g/mol, XLogP of 2.29, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-ethoxy-6-(methylaminomethyl)phenoxy]-2,2-dimethylpropanoic acid is sourced from PubChem (CID 79629790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).