methyl 2-amino-3-(4-ethylanilino)benzoate

C16H18N2O2 — CID 115544514

IUPACmethyl 2-amino-3-(4-ethylanilino)benzoate
SMILESCCc1ccc(Nc2cccc(C(=O)OC)c2N)cc1
InChIInChI=1S/C16H18N2O2/c1-3-11-7-9-12(10-8-11)18-14-6-4-5-13(15(14)17)16(19)20-2/h4-10,18H,3,17H2,1-2H3
InChIKeyOFZXDDWGCYYSHK-UHFFFAOYSA-N
MW270.33 g/mol
LogP3.36
Rot. Bonds4

About methyl 2-amino-3-(4-ethylanilino)benzoate

methyl 2-amino-3-(4-ethylanilino)benzoate (PubChem CID 115544514) has the molecular formula C16H18N2O2 and a molecular weight of 270.33 g/mol. Its IUPAC name is methyl 2-amino-3-(4-ethylanilino)benzoate.

Molecular Properties

Compound Namemethyl 2-amino-3-(4-ethylanilino)benzoate
PubChem CID115544514
Molecular FormulaC16H18N2O2
Molecular Weight270.33 g/mol
Exact Mass270.14
IUPAC Namemethyl 2-amino-3-(4-ethylanilino)benzoate
SMILESCCc1ccc(Nc2cccc(C(=O)OC)c2N)cc1
InChIInChI=1S/C16H18N2O2/c1-3-11-7-9-12(10-8-11)18-14-6-4-5-13(15(14)17)16(19)20-2/h4-10,18H,3,17H2,1-2H3
InChIKeyOFZXDDWGCYYSHK-UHFFFAOYSA-N
XLogP3.36
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 ≤ 53.36
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

methyl 2-amino-3-(4-propylanilino)benzoate
CID 115544787
2-amino-3-(4-ethylanilino)benzamide
CID 113332480
methyl 2-amino-3-[4-(cyanomethyl)anilino]benzoate
CID 115545835
methyl 2-amino-3-(4-methylanilino)benzoate
CID 113332500
methyl 2-amino-3-(2-ethylanilino)benzoate
CID 115544520
methyl 2-amino-3-(4-methoxyanilino)benzoate
CID 115544118
methyl 2-amino-3-[(4-ethylphenyl)methylamino]benzoate
CID 106900672
methyl 2-[[5-amino-6-(4-ethylanilino)pyrimidin-4-yl]amino]benzoate
CID 22544319
2-(4-ethylanilino)benzamide
CID 177472959
methyl 2-amino-3-(2,3-dihydro-1H-inden-5-ylamino)benzoate
CID 115544378
methyl 2-amino-3-(3-fluoro-2-methylanilino)benzoate
CID 115545598
methyl 2-amino-3-(2-chloro-5-fluoroanilino)benzoate
CID 107531013

Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-3-(4-ethylanilino)benzoate?
The IUPAC name of methyl 2-amino-3-(4-ethylanilino)benzoate (CID 115544514) is methyl 2-amino-3-(4-ethylanilino)benzoate.
What is the SMILES notation for methyl 2-amino-3-(4-ethylanilino)benzoate?
The canonical SMILES for methyl 2-amino-3-(4-ethylanilino)benzoate is CCc1ccc(Nc2cccc(C(=O)OC)c2N)cc1.
What is the InChIKey of methyl 2-amino-3-(4-ethylanilino)benzoate?
The InChIKey is OFZXDDWGCYYSHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2/c1-3-11-7-9-12(10-8-11)18-14-6-4-5-13(15(14)17)16(19)20-2/h4-10,18H,3,17H2,1-2H3.
What are the key properties of methyl 2-amino-3-(4-ethylanilino)benzoate?
methyl 2-amino-3-(4-ethylanilino)benzoate has a molecular weight of 270.33 g/mol, XLogP of 3.36, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-amino-3-(4-ethylanilino)benzoate is sourced from PubChem (CID 115544514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).