4-(3,4-dimethylanilino)benzoic acid

C15H15NO2 — CID 62230347

IUPAC4-(3,4-dimethylanilino)benzoic acid
SMILESCc1ccc(Nc2ccc(C(=O)O)cc2)cc1C
InChIInChI=1S/C15H15NO2/c1-10-3-6-14(9-11(10)2)16-13-7-4-12(5-8-13)15(17)18/h3-9,16H,1-2H3,(H,17,18)
InChIKeyJYIOEHCBJOMLBZ-UHFFFAOYSA-N
MW241.29 g/mol
LogP3.75
Rot. Bonds3

About 4-(3,4-dimethylanilino)benzoic acid

4-(3,4-dimethylanilino)benzoic acid (PubChem CID 62230347) has the molecular formula C15H15NO2 and a molecular weight of 241.29 g/mol. Its IUPAC name is 4-(3,4-dimethylanilino)benzoic acid.

Molecular Properties

Compound Name4-(3,4-dimethylanilino)benzoic acid
PubChem CID62230347
Molecular FormulaC15H15NO2
Molecular Weight241.29 g/mol
Exact Mass241.11
IUPAC Name4-(3,4-dimethylanilino)benzoic acid
SMILESCc1ccc(Nc2ccc(C(=O)O)cc2)cc1C
InChIInChI=1S/C15H15NO2/c1-10-3-6-14(9-11(10)2)16-13-7-4-12(5-8-13)15(17)18/h3-9,16H,1-2H3,(H,17,18)
InChIKeyJYIOEHCBJOMLBZ-UHFFFAOYSA-N
XLogP3.75
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[[6-(3,4-dimethylanilino)-2-methylpyrimidin-4-yl]amino]benzoic acid
CID 113193283
4-(3,4-dimethylanilino)-3-methylbenzoic acid
CID 63538637
4-N-(3,4-dimethylphenyl)-1-N-phenylbenzene-1,4-diamine
CID 139604467
4-[2-[(3,4-dimethylphenyl)carbamoyl]hydrazinyl]benzoic acid
CID 51062889
4-(4-acetamidoanilino)benzoic acid
CID 11425691
2-methyl-4-[4-(trifluoromethyl)anilino]benzoic acid
CID 63499677
4-[(3,4-dimethylphenyl)carbamoyl]benzene-1,3-dicarboxylic acid
CID 15943706
N-(4-fluorophenyl)-3,4-dimethylaniline
CID 11020276
4-[[4-(3,4-dimethylphenyl)-5-methyl-1,3-thiazol-2-yl]amino]benzoic acid
CID 780810
4-[[6-(3-bromo-4-methylanilino)pyrimidin-4-yl]amino]benzoic acid
CID 113192965
4-(3-bromoanilino)benzoic acid
CID 55049149
5-(4-carbamoyl-3-methylanilino)-2-methylbenzoic acid
CID 81269584

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dimethylanilino)benzoic acid?
The IUPAC name of 4-(3,4-dimethylanilino)benzoic acid (CID 62230347) is 4-(3,4-dimethylanilino)benzoic acid.
What is the SMILES notation for 4-(3,4-dimethylanilino)benzoic acid?
The canonical SMILES for 4-(3,4-dimethylanilino)benzoic acid is Cc1ccc(Nc2ccc(C(=O)O)cc2)cc1C.
What is the InChIKey of 4-(3,4-dimethylanilino)benzoic acid?
The InChIKey is JYIOEHCBJOMLBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO2/c1-10-3-6-14(9-11(10)2)16-13-7-4-12(5-8-13)15(17)18/h3-9,16H,1-2H3,(H,17,18).
What are the key properties of 4-(3,4-dimethylanilino)benzoic acid?
4-(3,4-dimethylanilino)benzoic acid has a molecular weight of 241.29 g/mol, XLogP of 3.75, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dimethylanilino)benzoic acid is sourced from PubChem (CID 62230347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).