ethyl 2-[3-(2-aminophenyl)phenyl]iminoacetate

C16H16N2O2 — CID 22061124

IUPACethyl 2-[3-(2-aminophenyl)phenyl]iminoacetate
SMILESCCOC(=O)/C=N/c1cccc(-c2ccccc2N)c1
InChIInChI=1S/C16H16N2O2/c1-2-20-16(19)11-18-13-7-5-6-12(10-13)14-8-3-4-9-15(14)17/h3-11H,2,17H2,1H3/b18-11+
InChIKeyJHBQYEYPXFQSLS-WOJGMQOQSA-N
MW268.32 g/mol
LogP3.20
Rot. Bonds4

About ethyl 2-[3-(2-aminophenyl)phenyl]iminoacetate

ethyl 2-[3-(2-aminophenyl)phenyl]iminoacetate (PubChem CID 22061124) has the molecular formula C16H16N2O2 and a molecular weight of 268.32 g/mol. Its IUPAC name is ethyl 2-[3-(2-aminophenyl)phenyl]iminoacetate.

Molecular Properties

Compound Nameethyl 2-[3-(2-aminophenyl)phenyl]iminoacetate
PubChem CID22061124
Molecular FormulaC16H16N2O2
Molecular Weight268.32 g/mol
Exact Mass268.12
IUPAC Nameethyl 2-[3-(2-aminophenyl)phenyl]iminoacetate
SMILESCCOC(=O)/C=N/c1cccc(-c2ccccc2N)c1
InChIInChI=1S/C16H16N2O2/c1-2-20-16(19)11-18-13-7-5-6-12(10-13)14-8-3-4-9-15(14)17/h3-11H,2,17H2,1H3/b18-11+
InChIKeyJHBQYEYPXFQSLS-WOJGMQOQSA-N
XLogP3.20
TPSA64.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[3-(2-aminophenyl)phenyl]iminoacetate?
The IUPAC name of ethyl 2-[3-(2-aminophenyl)phenyl]iminoacetate (CID 22061124) is ethyl 2-[3-(2-aminophenyl)phenyl]iminoacetate.
What is the SMILES notation for ethyl 2-[3-(2-aminophenyl)phenyl]iminoacetate?
The canonical SMILES for ethyl 2-[3-(2-aminophenyl)phenyl]iminoacetate is CCOC(=O)/C=N/c1cccc(-c2ccccc2N)c1.
What is the InChIKey of ethyl 2-[3-(2-aminophenyl)phenyl]iminoacetate?
The InChIKey is JHBQYEYPXFQSLS-WOJGMQOQSA-N. The full InChI is InChI=1S/C16H16N2O2/c1-2-20-16(19)11-18-13-7-5-6-12(10-13)14-8-3-4-9-15(14)17/h3-11H,2,17H2,1H3/b18-11+.
What are the key properties of ethyl 2-[3-(2-aminophenyl)phenyl]iminoacetate?
ethyl 2-[3-(2-aminophenyl)phenyl]iminoacetate has a molecular weight of 268.32 g/mol, XLogP of 3.20, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[3-(2-aminophenyl)phenyl]iminoacetate is sourced from PubChem (CID 22061124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).