ethyl 3-amino-2-(2-ethylphenoxy)benzoate

C17H19NO3 — CID 115935732

IUPACethyl 3-amino-2-(2-ethylphenoxy)benzoate
SMILESCCOC(=O)c1cccc(N)c1Oc1ccccc1CC
InChIInChI=1S/C17H19NO3/c1-3-12-8-5-6-11-15(12)21-16-13(17(19)20-4-2)9-7-10-14(16)18/h5-11H,3-4,18H2,1-2H3
InChIKeyTYOPEKFPZDQKLI-UHFFFAOYSA-N
MW285.34 g/mol
LogP3.80
Rot. Bonds5

About ethyl 3-amino-2-(2-ethylphenoxy)benzoate

ethyl 3-amino-2-(2-ethylphenoxy)benzoate (PubChem CID 115935732) has the molecular formula C17H19NO3 and a molecular weight of 285.34 g/mol. Its IUPAC name is ethyl 3-amino-2-(2-ethylphenoxy)benzoate.

Molecular Properties

Compound Nameethyl 3-amino-2-(2-ethylphenoxy)benzoate
PubChem CID115935732
Molecular FormulaC17H19NO3
Molecular Weight285.34 g/mol
Exact Mass285.14
IUPAC Nameethyl 3-amino-2-(2-ethylphenoxy)benzoate
SMILESCCOC(=O)c1cccc(N)c1Oc1ccccc1CC
InChIInChI=1S/C17H19NO3/c1-3-12-8-5-6-11-15(12)21-16-13(17(19)20-4-2)9-7-10-14(16)18/h5-11H,3-4,18H2,1-2H3
InChIKeyTYOPEKFPZDQKLI-UHFFFAOYSA-N
XLogP3.80
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 53.80
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 3-amino-2-(2-bromophenoxy)benzoate
CID 115935679
ethyl 3-amino-2-(2,4-difluorophenoxy)benzoate
CID 115935561
ethyl 3-amino-2-(4-fluorophenoxy)benzoate
CID 115935610
ethyl 3-amino-2-(3-methylphenoxy)benzoate
CID 115935608
ethyl 2-(2-ethoxycarbonylphenoxy)benzoate
CID 142800670
ethyl 3-ethyl-2-hydroxybenzoate
CID 101432634
acetic acid;ethyl 2-ethylbenzoate
CID 162337312
2-(2-ethylphenoxy)-3-methylbenzenecarboximidamide
CID 107110639
methyl 3-amino-2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]benzoate
CID 103175372
2-(2-ethylphenoxy)benzene-1,3-diol
CID 23109139
ethyl 3-amino-2-(3-methylbutoxy)benzoate
CID 112579665
ethyl 3-amino-2-fluorobenzoate
CID 46311258

Frequently Asked Questions

What is the IUPAC name of ethyl 3-amino-2-(2-ethylphenoxy)benzoate?
The IUPAC name of ethyl 3-amino-2-(2-ethylphenoxy)benzoate (CID 115935732) is ethyl 3-amino-2-(2-ethylphenoxy)benzoate.
What is the SMILES notation for ethyl 3-amino-2-(2-ethylphenoxy)benzoate?
The canonical SMILES for ethyl 3-amino-2-(2-ethylphenoxy)benzoate is CCOC(=O)c1cccc(N)c1Oc1ccccc1CC.
What is the InChIKey of ethyl 3-amino-2-(2-ethylphenoxy)benzoate?
The InChIKey is TYOPEKFPZDQKLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO3/c1-3-12-8-5-6-11-15(12)21-16-13(17(19)20-4-2)9-7-10-14(16)18/h5-11H,3-4,18H2,1-2H3.
What are the key properties of ethyl 3-amino-2-(2-ethylphenoxy)benzoate?
ethyl 3-amino-2-(2-ethylphenoxy)benzoate has a molecular weight of 285.34 g/mol, XLogP of 3.80, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-amino-2-(2-ethylphenoxy)benzoate is sourced from PubChem (CID 115935732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).