ethyl 2-(4-amino-2,6-dimethylphenoxy)acetate

C12H17NO3 — CID 5305638

IUPACethyl 2-(4-amino-2,6-dimethylphenoxy)acetate
SMILESCCOC(=O)COc1c(C)cc(N)cc1C
InChIInChI=1S/C12H17NO3/c1-4-15-11(14)7-16-12-8(2)5-10(13)6-9(12)3/h5-6H,4,7,13H2,1-3H3
InChIKeyDLTDKKKHNQCGHJ-UHFFFAOYSA-N
MW223.27 g/mol
LogP1.83
Rot. Bonds4

About ethyl 2-(4-amino-2,6-dimethylphenoxy)acetate

ethyl 2-(4-amino-2,6-dimethylphenoxy)acetate (PubChem CID 5305638) has the molecular formula C12H17NO3 and a molecular weight of 223.27 g/mol. Its IUPAC name is ethyl 2-(4-amino-2,6-dimethylphenoxy)acetate.

Molecular Properties

Compound Nameethyl 2-(4-amino-2,6-dimethylphenoxy)acetate
PubChem CID5305638
Molecular FormulaC12H17NO3
Molecular Weight223.27 g/mol
Exact Mass223.12
IUPAC Nameethyl 2-(4-amino-2,6-dimethylphenoxy)acetate
SMILESCCOC(=O)COc1c(C)cc(N)cc1C
InChIInChI=1S/C12H17NO3/c1-4-15-11(14)7-16-12-8(2)5-10(13)6-9(12)3/h5-6H,4,7,13H2,1-3H3
InChIKeyDLTDKKKHNQCGHJ-UHFFFAOYSA-N
XLogP1.83
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.27
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

ethyl 2-(4-bromo-2,6-dimethylphenoxy)acetate
CID 875019
ethyl 2-(4-carbamothioyl-2,6-dimethylphenoxy)acetate
CID 65470204
ethyl 2-[3,5-bis(2-ethoxy-2-oxoethoxy)phenoxy]acetate
CID 71361550
2-(2,6-dimethylphenoxy)acetic acid;ethyl 2-(2,6-dimethylphenoxy)acetate
CID 158433715
ethyl 2-(4-tert-butyl-2-methyl-6-sulfanylphenoxy)acetate
CID 58106112
ethyl 2-(4-bromo-2-formyl-6-methylphenoxy)acetate
CID 112620712
ethyl 2-(3-cyano-2,4,6-trimethylphenoxy)acetate
CID 135183567
ethyl 2-(3,4,5-trimethylphenoxy)acetate
CID 141147627
ethyl 2-(2,3,4,5,6-pentafluorophenoxy)acetate
CID 4513854
5-amino-2-(2-ethoxy-2-oxoethoxy)-3-nitrobenzoic acid
CID 139653226
ethyl 2-(2-formyl-6-methylphenoxy)acetate
CID 57137176
2-(4-amino-2-bromo-6-methylphenoxy)acetic acid
CID 130156250

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(4-amino-2,6-dimethylphenoxy)acetate?
The IUPAC name of ethyl 2-(4-amino-2,6-dimethylphenoxy)acetate (CID 5305638) is ethyl 2-(4-amino-2,6-dimethylphenoxy)acetate.
What is the SMILES notation for ethyl 2-(4-amino-2,6-dimethylphenoxy)acetate?
The canonical SMILES for ethyl 2-(4-amino-2,6-dimethylphenoxy)acetate is CCOC(=O)COc1c(C)cc(N)cc1C.
What is the InChIKey of ethyl 2-(4-amino-2,6-dimethylphenoxy)acetate?
The InChIKey is DLTDKKKHNQCGHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO3/c1-4-15-11(14)7-16-12-8(2)5-10(13)6-9(12)3/h5-6H,4,7,13H2,1-3H3.
What are the key properties of ethyl 2-(4-amino-2,6-dimethylphenoxy)acetate?
ethyl 2-(4-amino-2,6-dimethylphenoxy)acetate has a molecular weight of 223.27 g/mol, XLogP of 1.83, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(4-amino-2,6-dimethylphenoxy)acetate is sourced from PubChem (CID 5305638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).