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

C15H16N2O3 — CID 115933795

IUPACmethyl 3-amino-2-(4-methoxyanilino)benzoate
SMILESCOC(=O)c1cccc(N)c1Nc1ccc(OC)cc1
InChIInChI=1S/C15H16N2O3/c1-19-11-8-6-10(7-9-11)17-14-12(15(18)20-2)4-3-5-13(14)16/h3-9,17H,16H2,1-2H3
InChIKeyRZGBSFROOCGRRT-UHFFFAOYSA-N
MW272.30 g/mol
LogP2.81
Rot. Bonds4

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

methyl 3-amino-2-(4-methoxyanilino)benzoate (PubChem CID 115933795) has the molecular formula C15H16N2O3 and a molecular weight of 272.30 g/mol. Its IUPAC name is methyl 3-amino-2-(4-methoxyanilino)benzoate.

Molecular Properties

Compound Namemethyl 3-amino-2-(4-methoxyanilino)benzoate
PubChem CID115933795
Molecular FormulaC15H16N2O3
Molecular Weight272.30 g/mol
Exact Mass272.12
IUPAC Namemethyl 3-amino-2-(4-methoxyanilino)benzoate
SMILESCOC(=O)c1cccc(N)c1Nc1ccc(OC)cc1
InChIInChI=1S/C15H16N2O3/c1-19-11-8-6-10(7-9-11)17-14-12(15(18)20-2)4-3-5-13(14)16/h3-9,17H,16H2,1-2H3
InChIKeyRZGBSFROOCGRRT-UHFFFAOYSA-N
XLogP2.81
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

methyl 3-amino-2-(4-methylsulfanylanilino)benzoate
CID 115933878
methyl 2-amino-3-(4-methoxyanilino)benzoate
CID 115544118
methyl 3-amino-2-(3-bromo-4-methylanilino)benzoate
CID 115935014
methyl 3-amino-2-(2,6-dichloroanilino)benzoate
CID 115935177
3-amino-2-(3,5-dimethoxyanilino)benzamide
CID 115933905
methyl 3-amino-2-[3-(methoxymethyl)anilino]benzoate
CID 115934435
ethane;methyl 3-amino-2-(methylamino)benzoate
CID 144759892
dimethyl 3-aminobenzene-1,2-dicarboxylate
CID 13399384
2-(4-methoxyanilino)-3-methylbenzoic acid
CID 174942223
methyl 5-amino-2-(4-methoxyanilino)benzoate
CID 21438625
3-amino-N-(4-methoxyphenyl)-2-methylbenzamide
CID 16787137
methyl 3-amino-2-(3-bromo-2-methylanilino)benzoate
CID 107637742

Frequently Asked Questions

What is the IUPAC name of methyl 3-amino-2-(4-methoxyanilino)benzoate?
The IUPAC name of methyl 3-amino-2-(4-methoxyanilino)benzoate (CID 115933795) is methyl 3-amino-2-(4-methoxyanilino)benzoate.
What is the SMILES notation for methyl 3-amino-2-(4-methoxyanilino)benzoate?
The canonical SMILES for methyl 3-amino-2-(4-methoxyanilino)benzoate is COC(=O)c1cccc(N)c1Nc1ccc(OC)cc1.
What is the InChIKey of methyl 3-amino-2-(4-methoxyanilino)benzoate?
The InChIKey is RZGBSFROOCGRRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3/c1-19-11-8-6-10(7-9-11)17-14-12(15(18)20-2)4-3-5-13(14)16/h3-9,17H,16H2,1-2H3.
What are the key properties of methyl 3-amino-2-(4-methoxyanilino)benzoate?
methyl 3-amino-2-(4-methoxyanilino)benzoate has a molecular weight of 272.30 g/mol, XLogP of 2.81, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-amino-2-(4-methoxyanilino)benzoate is sourced from PubChem (CID 115933795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).