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

C15H16N2O3 — CID 115544118

IUPACmethyl 2-amino-3-(4-methoxyanilino)benzoate
SMILESCOC(=O)c1cccc(Nc2ccc(OC)cc2)c1N
InChIInChI=1S/C15H16N2O3/c1-19-11-8-6-10(7-9-11)17-13-5-3-4-12(14(13)16)15(18)20-2/h3-9,17H,16H2,1-2H3
InChIKeyPXVXTCJGTNXVGJ-UHFFFAOYSA-N
MW272.30 g/mol
LogP2.81
Rot. Bonds4

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

methyl 2-amino-3-(4-methoxyanilino)benzoate (PubChem CID 115544118) has the molecular formula C15H16N2O3 and a molecular weight of 272.30 g/mol. Its IUPAC name is methyl 2-amino-3-(4-methoxyanilino)benzoate.

Molecular Properties

Compound Namemethyl 2-amino-3-(4-methoxyanilino)benzoate
PubChem CID115544118
Molecular FormulaC15H16N2O3
Molecular Weight272.30 g/mol
Exact Mass272.12
IUPAC Namemethyl 2-amino-3-(4-methoxyanilino)benzoate
SMILESCOC(=O)c1cccc(Nc2ccc(OC)cc2)c1N
InChIInChI=1S/C15H16N2O3/c1-19-11-8-6-10(7-9-11)17-13-5-3-4-12(14(13)16)15(18)20-2/h3-9,17H,16H2,1-2H3
InChIKeyPXVXTCJGTNXVGJ-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 2-amino-3-(4-methylanilino)benzoate
CID 113332500
methyl 2-amino-3-(4-ethylanilino)benzoate
CID 115544514
methyl 2-amino-3-(4-propylanilino)benzoate
CID 115544787
methyl 3-amino-2-(4-methoxyanilino)benzoate
CID 115933795
methyl 2-amino-3-[4-(cyanomethyl)anilino]benzoate
CID 115545835
methyl 2-amino-3-(1-benzothiophen-5-ylamino)benzoate
CID 115546387
bis[2-(4-methoxyanilino)phenyl]methanone
CID 141301142
methyl 5-amino-2-(4-methoxyanilino)benzoate
CID 21438625
methyl 2-amino-3-(2-ethylanilino)benzoate
CID 115544520
methyl 2-amino-3-(2,3-dihydro-1H-inden-5-ylamino)benzoate
CID 115544378
methyl 2-amino-3-(4-methoxyphenyl)benzoate
CID 171919931
methyl 2-amino-3-(4-methoxybenzoyl)benzoate
CID 18694348

Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-3-(4-methoxyanilino)benzoate?
The IUPAC name of methyl 2-amino-3-(4-methoxyanilino)benzoate (CID 115544118) is methyl 2-amino-3-(4-methoxyanilino)benzoate.
What is the SMILES notation for methyl 2-amino-3-(4-methoxyanilino)benzoate?
The canonical SMILES for methyl 2-amino-3-(4-methoxyanilino)benzoate is COC(=O)c1cccc(Nc2ccc(OC)cc2)c1N.
What is the InChIKey of methyl 2-amino-3-(4-methoxyanilino)benzoate?
The InChIKey is PXVXTCJGTNXVGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3/c1-19-11-8-6-10(7-9-11)17-13-5-3-4-12(14(13)16)15(18)20-2/h3-9,17H,16H2,1-2H3.
What are the key properties of methyl 2-amino-3-(4-methoxyanilino)benzoate?
methyl 2-amino-3-(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 2-amino-3-(4-methoxyanilino)benzoate is sourced from PubChem (CID 115544118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).