5-amino-2-(N,2,4-trimethylanilino)benzoic acid

C16H18N2O2 — CID 62001776

IUPAC5-amino-2-(N,2,4-trimethylanilino)benzoic acid
SMILESCc1ccc(N(C)c2ccc(N)cc2C(=O)O)c(C)c1
InChIInChI=1S/C16H18N2O2/c1-10-4-6-14(11(2)8-10)18(3)15-7-5-12(17)9-13(15)16(19)20/h4-9H,17H2,1-3H3,(H,19,20)
InChIKeyJIAJGEBKAZHWNQ-UHFFFAOYSA-N
MW270.33 g/mol
LogP3.35
Rot. Bonds3

About 5-amino-2-(N,2,4-trimethylanilino)benzoic acid

5-amino-2-(N,2,4-trimethylanilino)benzoic acid (PubChem CID 62001776) has the molecular formula C16H18N2O2 and a molecular weight of 270.33 g/mol. Its IUPAC name is 5-amino-2-(N,2,4-trimethylanilino)benzoic acid.

Molecular Properties

Compound Name5-amino-2-(N,2,4-trimethylanilino)benzoic acid
PubChem CID62001776
Molecular FormulaC16H18N2O2
Molecular Weight270.33 g/mol
Exact Mass270.14
IUPAC Name5-amino-2-(N,2,4-trimethylanilino)benzoic acid
SMILESCc1ccc(N(C)c2ccc(N)cc2C(=O)O)c(C)c1
InChIInChI=1S/C16H18N2O2/c1-10-4-6-14(11(2)8-10)18(3)15-7-5-12(17)9-13(15)16(19)20/h4-9H,17H2,1-3H3,(H,19,20)
InChIKeyJIAJGEBKAZHWNQ-UHFFFAOYSA-N
XLogP3.35
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-fluoro-2-(N,2,4-trimethylanilino)benzoic acid
CID 63536667
1-N-(2,4-dimethylphenyl)-1-N,2-dimethylbenzene-1,4-diamine
CID 62003179
5-methyl-2-(N,2,4-trimethylanilino)benzenecarbothioamide
CID 107928865
5-amino-2-[methyl-(2-methylcyclopropanecarbonyl)amino]benzoic acid
CID 63116559
4-amino-2-(2,5-dimethylphenyl)benzoic acid
CID 82292983
4-methyl-2-(N,2,4-trimethylanilino)-1,3-thiazole-5-carboxylic acid
CID 62764612
5-amino-2-(2-bromo-4-methylphenoxy)benzoic acid
CID 54888290
5-amino-2-[1-carboxypropyl(methyl)amino]benzoic acid
CID 64660956
2-(4-amino-N,2-dimethylanilino)acetic acid
CID 62253488
(2R)-2-(N,2,4-trimethylanilino)propanoic acid
CID 124508497
5-amino-2-(dimethylamino)-N-(2,5-dimethylphenyl)benzamide
CID 61089997
5-amino-2-[bis(2-methylpropyl)amino]benzoic acid
CID 61376744

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-(N,2,4-trimethylanilino)benzoic acid?
The IUPAC name of 5-amino-2-(N,2,4-trimethylanilino)benzoic acid (CID 62001776) is 5-amino-2-(N,2,4-trimethylanilino)benzoic acid.
What is the SMILES notation for 5-amino-2-(N,2,4-trimethylanilino)benzoic acid?
The canonical SMILES for 5-amino-2-(N,2,4-trimethylanilino)benzoic acid is Cc1ccc(N(C)c2ccc(N)cc2C(=O)O)c(C)c1.
What is the InChIKey of 5-amino-2-(N,2,4-trimethylanilino)benzoic acid?
The InChIKey is JIAJGEBKAZHWNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2/c1-10-4-6-14(11(2)8-10)18(3)15-7-5-12(17)9-13(15)16(19)20/h4-9H,17H2,1-3H3,(H,19,20).
What are the key properties of 5-amino-2-(N,2,4-trimethylanilino)benzoic acid?
5-amino-2-(N,2,4-trimethylanilino)benzoic acid has a molecular weight of 270.33 g/mol, XLogP of 3.35, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-(N,2,4-trimethylanilino)benzoic acid is sourced from PubChem (CID 62001776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).