4-amino-2-(2,5-dimethylphenyl)benzoic acid

C15H15NO2 — CID 82292983

IUPAC4-amino-2-(2,5-dimethylphenyl)benzoic acid
SMILESCc1ccc(C)c(-c2cc(N)ccc2C(=O)O)c1
InChIInChI=1S/C15H15NO2/c1-9-3-4-10(2)13(7-9)14-8-11(16)5-6-12(14)15(17)18/h3-8H,16H2,1-2H3,(H,17,18)
InChIKeySOTPYKLBXDIEJQ-UHFFFAOYSA-N
MW241.29 g/mol
LogP3.25
Rot. Bonds2

About 4-amino-2-(2,5-dimethylphenyl)benzoic acid

4-amino-2-(2,5-dimethylphenyl)benzoic acid (PubChem CID 82292983) has the molecular formula C15H15NO2 and a molecular weight of 241.29 g/mol. Its IUPAC name is 4-amino-2-(2,5-dimethylphenyl)benzoic acid.

Molecular Properties

Compound Name4-amino-2-(2,5-dimethylphenyl)benzoic acid
PubChem CID82292983
Molecular FormulaC15H15NO2
Molecular Weight241.29 g/mol
Exact Mass241.11
IUPAC Name4-amino-2-(2,5-dimethylphenyl)benzoic acid
SMILESCc1ccc(C)c(-c2cc(N)ccc2C(=O)O)c1
InChIInChI=1S/C15H15NO2/c1-9-3-4-10(2)13(7-9)14-8-11(16)5-6-12(14)15(17)18/h3-8H,16H2,1-2H3,(H,17,18)
InChIKeySOTPYKLBXDIEJQ-UHFFFAOYSA-N
XLogP3.25
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-amino-2-(5-amino-2-carboxyphenyl)benzoic acid
CID 22096985
5-(2,5-dimethylphenyl)-2,4-dimethylbenzoic acid
CID 107515552
3-(2,4-dimethylphenyl)-4-methylaniline
CID 63334523
2-(2,5-dimethylphenyl)-4-nitrobenzoic acid
CID 53225236
6-(2,5-dimethylphenyl)-5-methyl-2-sulfanylidene-1H-pyridine-3-carboxylic acid
CID 82124065
2-chloro-5-(2,5-dimethylphenyl)pyridine-4-carboxylic acid
CID 53222689
3-(2,5-dimethylphenyl)-4-methoxyaniline
CID 39247090
4-(2,5-dimethylphenyl)-2-fluorobenzoic acid
CID 53211178
5-amino-2-[(2,5-dimethylbenzoyl)amino]benzoic acid
CID 63115622
5-(2,5-dimethylphenyl)-2-oxo-1H-pyridine-4-carboxylic acid
CID 53222685
5-amino-2-(N,2,4-trimethylanilino)benzoic acid
CID 62001776
4-amino-2-(2,5-dimethylphenyl)-1H-pyrrole-3-carboxylic acid
CID 82288784

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(2,5-dimethylphenyl)benzoic acid?
The IUPAC name of 4-amino-2-(2,5-dimethylphenyl)benzoic acid (CID 82292983) is 4-amino-2-(2,5-dimethylphenyl)benzoic acid.
What is the SMILES notation for 4-amino-2-(2,5-dimethylphenyl)benzoic acid?
The canonical SMILES for 4-amino-2-(2,5-dimethylphenyl)benzoic acid is Cc1ccc(C)c(-c2cc(N)ccc2C(=O)O)c1.
What is the InChIKey of 4-amino-2-(2,5-dimethylphenyl)benzoic acid?
The InChIKey is SOTPYKLBXDIEJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO2/c1-9-3-4-10(2)13(7-9)14-8-11(16)5-6-12(14)15(17)18/h3-8H,16H2,1-2H3,(H,17,18).
What are the key properties of 4-amino-2-(2,5-dimethylphenyl)benzoic acid?
4-amino-2-(2,5-dimethylphenyl)benzoic acid has a molecular weight of 241.29 g/mol, XLogP of 3.25, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-(2,5-dimethylphenyl)benzoic acid is sourced from PubChem (CID 82292983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).