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

C16H18N2O2 — CID 115934055

IUPACethyl 3-amino-2-(2-methylanilino)benzoate
SMILESCCOC(=O)c1cccc(N)c1Nc1ccccc1C
InChIInChI=1S/C16H18N2O2/c1-3-20-16(19)12-8-6-9-13(17)15(12)18-14-10-5-4-7-11(14)2/h4-10,18H,3,17H2,1-2H3
InChIKeyZBNAUDIJEKEBLM-UHFFFAOYSA-N
MW270.33 g/mol
LogP3.50
Rot. Bonds4

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

ethyl 3-amino-2-(2-methylanilino)benzoate (PubChem CID 115934055) has the molecular formula C16H18N2O2 and a molecular weight of 270.33 g/mol. Its IUPAC name is ethyl 3-amino-2-(2-methylanilino)benzoate.

Molecular Properties

Compound Nameethyl 3-amino-2-(2-methylanilino)benzoate
PubChem CID115934055
Molecular FormulaC16H18N2O2
Molecular Weight270.33 g/mol
Exact Mass270.14
IUPAC Nameethyl 3-amino-2-(2-methylanilino)benzoate
SMILESCCOC(=O)c1cccc(N)c1Nc1ccccc1C
InChIInChI=1S/C16H18N2O2/c1-3-20-16(19)12-8-6-9-13(17)15(12)18-14-10-5-4-7-11(14)2/h4-10,18H,3,17H2,1-2H3
InChIKeyZBNAUDIJEKEBLM-UHFFFAOYSA-N
XLogP3.50
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 53.50
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 3-amino-2-(2-methoxyanilino)benzoate
CID 115933822
ethyl 3-amino-2-(5-bromo-2-methylanilino)benzoate
CID 115934212
ethyl 3-amino-2-(2,6-dibromoanilino)benzoate
CID 107602732
ethyl 2-(2-aminoanilino)benzoate
CID 131846844
ethyl 3-amino-2-(4-chloro-2-iodoanilino)benzoate
CID 107637830
ethyl 3-amino-2-(2-bromo-5-chloroanilino)benzoate
CID 115935390
ethyl 2-[[5-amino-6-(2-methylanilino)pyrimidin-4-yl]amino]benzoate
CID 19147874
ethyl 3-amino-2-(pentan-3-ylamino)benzoate
CID 112577629
ethyl 3-amino-2-[(1-ethylpyrazol-4-yl)amino]benzoate
CID 115934164
ethyl 2,3-bis(fluoroamino)benzoate
CID 141129838
ethyl 3-amino-2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]benzoate
CID 115934370
ethyl 8-methoxy-4-(2-methylanilino)quinoline-3-carboxylate
CID 13038439

Frequently Asked Questions

What is the IUPAC name of ethyl 3-amino-2-(2-methylanilino)benzoate?
The IUPAC name of ethyl 3-amino-2-(2-methylanilino)benzoate (CID 115934055) is ethyl 3-amino-2-(2-methylanilino)benzoate.
What is the SMILES notation for ethyl 3-amino-2-(2-methylanilino)benzoate?
The canonical SMILES for ethyl 3-amino-2-(2-methylanilino)benzoate is CCOC(=O)c1cccc(N)c1Nc1ccccc1C.
What is the InChIKey of ethyl 3-amino-2-(2-methylanilino)benzoate?
The InChIKey is ZBNAUDIJEKEBLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2/c1-3-20-16(19)12-8-6-9-13(17)15(12)18-14-10-5-4-7-11(14)2/h4-10,18H,3,17H2,1-2H3.
What are the key properties of ethyl 3-amino-2-(2-methylanilino)benzoate?
ethyl 3-amino-2-(2-methylanilino)benzoate has a molecular weight of 270.33 g/mol, XLogP of 3.50, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-amino-2-(2-methylanilino)benzoate is sourced from PubChem (CID 115934055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).