methyl 4-(2-aminoanilino)benzoate

C14H14N2O2 — CID 68667054

IUPACmethyl 4-(2-aminoanilino)benzoate
SMILESCOC(=O)c1ccc(Nc2ccccc2N)cc1
InChIInChI=1S/C14H14N2O2/c1-18-14(17)10-6-8-11(9-7-10)16-13-5-3-2-4-12(13)15/h2-9,16H,15H2,1H3
InChIKeyGUMXTDWDMDJVPB-UHFFFAOYSA-N
MW242.28 g/mol
LogP2.80
Rot. Bonds3

About methyl 4-(2-aminoanilino)benzoate

methyl 4-(2-aminoanilino)benzoate (PubChem CID 68667054) has the molecular formula C14H14N2O2 and a molecular weight of 242.28 g/mol. Its IUPAC name is methyl 4-(2-aminoanilino)benzoate.

Molecular Properties

Compound Namemethyl 4-(2-aminoanilino)benzoate
PubChem CID68667054
Molecular FormulaC14H14N2O2
Molecular Weight242.28 g/mol
Exact Mass242.11
IUPAC Namemethyl 4-(2-aminoanilino)benzoate
SMILESCOC(=O)c1ccc(Nc2ccccc2N)cc1
InChIInChI=1S/C14H14N2O2/c1-18-14(17)10-6-8-11(9-7-10)16-13-5-3-2-4-12(13)15/h2-9,16H,15H2,1H3
InChIKeyGUMXTDWDMDJVPB-UHFFFAOYSA-N
XLogP2.80
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 52.80
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

1-[4-(2-aminoanilino)phenyl]ethanone
CID 82287828
methyl 6-(2-aminoanilino)pyridine-3-carboxylate
CID 118017531
methyl 3-amino-4-(4-phenoxyanilino)benzoate
CID 100629896
methane;methyl 4-anilinobenzoate
CID 160948347
[4-(2-aminoanilino)phenyl]-(2-methylphenyl)methanone
CID 11324104
methyl 4-amino-3-(2-bromoanilino)benzoate
CID 82785601
methyl 4-(3-methoxy-2-methylanilino)benzoate
CID 69185509
[4-(2-aminoanilino)phenyl]-(2-chlorophenyl)methanone
CID 18358121
methyl 4-[(2-aminophenyl)sulfonylamino]benzoate
CID 28590095
2-[4-(2-aminoanilino)phenyl]propan-2-yl carbamate
CID 70032547
methyl 4-[2-(aminomethyl)-3-fluoroanilino]benzoate
CID 95476605
methyl 4-amino-3-[2-(methoxymethyl)anilino]benzoate
CID 82775744

Frequently Asked Questions

What is the IUPAC name of methyl 4-(2-aminoanilino)benzoate?
The IUPAC name of methyl 4-(2-aminoanilino)benzoate (CID 68667054) is methyl 4-(2-aminoanilino)benzoate.
What is the SMILES notation for methyl 4-(2-aminoanilino)benzoate?
The canonical SMILES for methyl 4-(2-aminoanilino)benzoate is COC(=O)c1ccc(Nc2ccccc2N)cc1.
What is the InChIKey of methyl 4-(2-aminoanilino)benzoate?
The InChIKey is GUMXTDWDMDJVPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O2/c1-18-14(17)10-6-8-11(9-7-10)16-13-5-3-2-4-12(13)15/h2-9,16H,15H2,1H3.
What are the key properties of methyl 4-(2-aminoanilino)benzoate?
methyl 4-(2-aminoanilino)benzoate has a molecular weight of 242.28 g/mol, XLogP of 2.80, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(2-aminoanilino)benzoate is sourced from PubChem (CID 68667054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).