ethyl 2-(2-amino-5-chlorophenoxy)acetate

C10H12ClNO3 — CID 62305338

IUPACethyl 2-(2-amino-5-chlorophenoxy)acetate
SMILESCCOC(=O)COc1cc(Cl)ccc1N
InChIInChI=1S/C10H12ClNO3/c1-2-14-10(13)6-15-9-5-7(11)3-4-8(9)12/h3-5H,2,6,12H2,1H3
InChIKeyQUYBMXQMUIXNSF-UHFFFAOYSA-N
MW229.66 g/mol
LogP1.86
Rot. Bonds4

About ethyl 2-(2-amino-5-chlorophenoxy)acetate

ethyl 2-(2-amino-5-chlorophenoxy)acetate (PubChem CID 62305338) has the molecular formula C10H12ClNO3 and a molecular weight of 229.66 g/mol. Its IUPAC name is ethyl 2-(2-amino-5-chlorophenoxy)acetate.

Molecular Properties

Compound Nameethyl 2-(2-amino-5-chlorophenoxy)acetate
PubChem CID62305338
Molecular FormulaC10H12ClNO3
Molecular Weight229.66 g/mol
Exact Mass229.05
IUPAC Nameethyl 2-(2-amino-5-chlorophenoxy)acetate
SMILESCCOC(=O)COc1cc(Cl)ccc1N
InChIInChI=1S/C10H12ClNO3/c1-2-14-10(13)6-15-9-5-7(11)3-4-8(9)12/h3-5H,2,6,12H2,1H3
InChIKeyQUYBMXQMUIXNSF-UHFFFAOYSA-N
XLogP1.86
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.66
LogP ≤ 51.86
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-(2,4-dichlorophenoxy)acetate
CID 10780
ethyl 2-(4-chloro-2-methylphenoxy)acetate
CID 17603
4-chloro-2-(2-ethoxyethoxy)aniline
CID 62306206
ethyl 4-(2,5-dichlorophenoxy)-3-oxobutanoate
CID 60644149
2-(2-amino-5-chlorophenoxy)-N-butylacetamide
CID 62305003
2-(2-amino-5-chlorophenoxy)-N-butan-2-ylacetamide
CID 62305337
(2-ethoxy-2-oxoethyl) 2-amino-4-chlorobenzoate
CID 60642858
ethyl 2-[5-chloro-2-[(2,3-difluoro-6-methoxyphenyl)methoxy]phenoxy]acetate
CID 141217736
ethyl 2-(4-chloro-2-cycloheptylphenoxy)acetate
CID 11688175
ethyl 2-[(2-amino-5-chlorophenyl)methylamino]acetate
CID 121221786
ethyl 2-(4-chloro-2-cyclopropylphenoxy)acetate;formic acid
CID 165133464
ethyl 4-[[2-[2-(4-chloro-2-methylphenoxy)acetyl]oxyacetyl]amino]butanoate
CID 29155553

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2-amino-5-chlorophenoxy)acetate?
The IUPAC name of ethyl 2-(2-amino-5-chlorophenoxy)acetate (CID 62305338) is ethyl 2-(2-amino-5-chlorophenoxy)acetate.
What is the SMILES notation for ethyl 2-(2-amino-5-chlorophenoxy)acetate?
The canonical SMILES for ethyl 2-(2-amino-5-chlorophenoxy)acetate is CCOC(=O)COc1cc(Cl)ccc1N.
What is the InChIKey of ethyl 2-(2-amino-5-chlorophenoxy)acetate?
The InChIKey is QUYBMXQMUIXNSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClNO3/c1-2-14-10(13)6-15-9-5-7(11)3-4-8(9)12/h3-5H,2,6,12H2,1H3.
What are the key properties of ethyl 2-(2-amino-5-chlorophenoxy)acetate?
ethyl 2-(2-amino-5-chlorophenoxy)acetate has a molecular weight of 229.66 g/mol, XLogP of 1.86, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2-amino-5-chlorophenoxy)acetate is sourced from PubChem (CID 62305338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).