ethyl 2-(2-aminoanilino)benzoate

C15H16N2O2 — CID 131846844

IUPACethyl 2-(2-aminoanilino)benzoate
SMILESCCOC(=O)c1ccccc1Nc1ccccc1N
InChIInChI=1S/C15H16N2O2/c1-2-19-15(18)11-7-3-5-9-13(11)17-14-10-6-4-8-12(14)16/h3-10,17H,2,16H2,1H3
InChIKeySUEHORZRHHRCJI-UHFFFAOYSA-N
MW256.31 g/mol
LogP3.19
Rot. Bonds4

About ethyl 2-(2-aminoanilino)benzoate

ethyl 2-(2-aminoanilino)benzoate (PubChem CID 131846844) has the molecular formula C15H16N2O2 and a molecular weight of 256.31 g/mol. Its IUPAC name is ethyl 2-(2-aminoanilino)benzoate.

Molecular Properties

Compound Nameethyl 2-(2-aminoanilino)benzoate
PubChem CID131846844
Molecular FormulaC15H16N2O2
Molecular Weight256.31 g/mol
Exact Mass256.12
IUPAC Nameethyl 2-(2-aminoanilino)benzoate
SMILESCCOC(=O)c1ccccc1Nc1ccccc1N
InChIInChI=1S/C15H16N2O2/c1-2-19-15(18)11-7-3-5-9-13(11)17-14-10-6-4-8-12(14)16/h3-10,17H,2,16H2,1H3
InChIKeySUEHORZRHHRCJI-UHFFFAOYSA-N
XLogP3.19
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethyl 2-[(2-amino-3-pyridinyl)amino]benzoate
CID 123452552
ethyl 2-(4-chloroanilino)benzoate
CID 82535773
ethyl 2-(4-methoxyanilino)benzoate
CID 13424427
ethyl 2-[[2-(2-aminophenyl)acetyl]amino]benzoate
CID 28712736
ethyl 3-amino-2-(2-methylanilino)benzoate
CID 115934055
ethyl 2-[4-(methanesulfonamido)anilino]benzoate
CID 112989811
ethyl 2-[[2-(2-amino-5-methylanilino)-2-oxoacetyl]amino]benzoate
CID 108501953
ethyl 2-(propanoylamino)benzoate
CID 4190428
ethyl 2-(propylamino)benzoate
CID 15662762
ethyl 3-(2-aminoanilino)benzoate
CID 59419795
ethyl 2-[[5-amino-6-(2-methylanilino)pyrimidin-4-yl]amino]benzoate
CID 19147874
ethyl 3-amino-2-(2-methoxyanilino)benzoate
CID 115933822

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2-aminoanilino)benzoate?
The IUPAC name of ethyl 2-(2-aminoanilino)benzoate (CID 131846844) is ethyl 2-(2-aminoanilino)benzoate.
What is the SMILES notation for ethyl 2-(2-aminoanilino)benzoate?
The canonical SMILES for ethyl 2-(2-aminoanilino)benzoate is CCOC(=O)c1ccccc1Nc1ccccc1N.
What is the InChIKey of ethyl 2-(2-aminoanilino)benzoate?
The InChIKey is SUEHORZRHHRCJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O2/c1-2-19-15(18)11-7-3-5-9-13(11)17-14-10-6-4-8-12(14)16/h3-10,17H,2,16H2,1H3.
What are the key properties of ethyl 2-(2-aminoanilino)benzoate?
ethyl 2-(2-aminoanilino)benzoate has a molecular weight of 256.31 g/mol, XLogP of 3.19, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2-aminoanilino)benzoate is sourced from PubChem (CID 131846844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).