ethyl 2-(4-amino-3-ethyl-5-methylphenoxy)acetate

C13H19NO3 — CID 168944648

IUPACethyl 2-(4-amino-3-ethyl-5-methylphenoxy)acetate
SMILESCCOC(=O)COc1cc(C)c(N)c(CC)c1
InChIInChI=1S/C13H19NO3/c1-4-10-7-11(6-9(3)13(10)14)17-8-12(15)16-5-2/h6-7H,4-5,8,14H2,1-3H3
InChIKeyGOIQACJHHLKOLB-UHFFFAOYSA-N
MW237.30 g/mol
LogP2.08
Rot. Bonds5

About ethyl 2-(4-amino-3-ethyl-5-methylphenoxy)acetate

ethyl 2-(4-amino-3-ethyl-5-methylphenoxy)acetate (PubChem CID 168944648) has the molecular formula C13H19NO3 and a molecular weight of 237.30 g/mol. Its IUPAC name is ethyl 2-(4-amino-3-ethyl-5-methylphenoxy)acetate.

Molecular Properties

Compound Nameethyl 2-(4-amino-3-ethyl-5-methylphenoxy)acetate
PubChem CID168944648
Molecular FormulaC13H19NO3
Molecular Weight237.30 g/mol
Exact Mass237.14
IUPAC Nameethyl 2-(4-amino-3-ethyl-5-methylphenoxy)acetate
SMILESCCOC(=O)COc1cc(C)c(N)c(CC)c1
InChIInChI=1S/C13H19NO3/c1-4-10-7-11(6-9(3)13(10)14)17-8-12(15)16-5-2/h6-7H,4-5,8,14H2,1-3H3
InChIKeyGOIQACJHHLKOLB-UHFFFAOYSA-N
XLogP2.08
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 52.08
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-[3,5-bis(2-ethoxy-2-oxoethoxy)phenoxy]acetate
CID 71361550
ethyl 2-(3,4,5-trimethylphenoxy)acetate
CID 141147627
ethyl 2-[3-(2-ethoxy-2-oxoethoxy)-5-formylphenoxy]acetate
CID 86184091
ethyl 2-(4-amino-3-methylphenoxy)acetate;hydrochloride
CID 70346506
ethyl 2-(3-methoxy-5-methylphenoxy)acetate
CID 59177445
ethyl 2-[2-amino-5-(difluoromethoxy)-3-methylphenyl]acetate
CID 171011845
ethyl 2-(3-hydroxy-5-methylphenoxy)acetate
CID 90066634
ethyl 2-(4-amino-2,6-dimethylphenoxy)acetate
CID 5305638
4-[(4-amino-3,5-diethylphenoxy)methoxy]-2,6-diethylaniline
CID 175551301
2-amino-5-(2-ethoxy-2-oxoethoxy)benzoic acid
CID 107077178
ethyl 2-[3-(2-methylpropoxy)phenoxy]acetate
CID 86689297
ethyl 3-(4-ethyl-3,5-dimethylphenoxy)propanoate
CID 156857056

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(4-amino-3-ethyl-5-methylphenoxy)acetate?
The IUPAC name of ethyl 2-(4-amino-3-ethyl-5-methylphenoxy)acetate (CID 168944648) is ethyl 2-(4-amino-3-ethyl-5-methylphenoxy)acetate.
What is the SMILES notation for ethyl 2-(4-amino-3-ethyl-5-methylphenoxy)acetate?
The canonical SMILES for ethyl 2-(4-amino-3-ethyl-5-methylphenoxy)acetate is CCOC(=O)COc1cc(C)c(N)c(CC)c1.
What is the InChIKey of ethyl 2-(4-amino-3-ethyl-5-methylphenoxy)acetate?
The InChIKey is GOIQACJHHLKOLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3/c1-4-10-7-11(6-9(3)13(10)14)17-8-12(15)16-5-2/h6-7H,4-5,8,14H2,1-3H3.
What are the key properties of ethyl 2-(4-amino-3-ethyl-5-methylphenoxy)acetate?
ethyl 2-(4-amino-3-ethyl-5-methylphenoxy)acetate has a molecular weight of 237.30 g/mol, XLogP of 2.08, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(4-amino-3-ethyl-5-methylphenoxy)acetate is sourced from PubChem (CID 168944648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).