5-methyl-2-(3-methylanilino)benzoic acid

C15H15NO2 — CID 19749262

IUPAC5-methyl-2-(3-methylanilino)benzoic acid
SMILESCc1cccc(Nc2ccc(C)cc2C(=O)O)c1
InChIInChI=1S/C15H15NO2/c1-10-4-3-5-12(8-10)16-14-7-6-11(2)9-13(14)15(17)18/h3-9,16H,1-2H3,(H,17,18)
InChIKeyGPFFZPIDHNLZBE-UHFFFAOYSA-N
MW241.29 g/mol
LogP3.75
Rot. Bonds3

About 5-methyl-2-(3-methylanilino)benzoic acid

5-methyl-2-(3-methylanilino)benzoic acid (PubChem CID 19749262) has the molecular formula C15H15NO2 and a molecular weight of 241.29 g/mol. Its IUPAC name is 5-methyl-2-(3-methylanilino)benzoic acid.

Molecular Properties

Compound Name5-methyl-2-(3-methylanilino)benzoic acid
PubChem CID19749262
Molecular FormulaC15H15NO2
Molecular Weight241.29 g/mol
Exact Mass241.11
IUPAC Name5-methyl-2-(3-methylanilino)benzoic acid
SMILESCc1cccc(Nc2ccc(C)cc2C(=O)O)c1
InChIInChI=1S/C15H15NO2/c1-10-4-3-5-12(8-10)16-14-7-6-11(2)9-13(14)15(17)18/h3-9,16H,1-2H3,(H,17,18)
InChIKeyGPFFZPIDHNLZBE-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

2-[3-(2-carboxy-4-methylanilino)anilino]-5-methylbenzoic acid
CID 10785748
2-(3-acetamidoanilino)-5-methylbenzoic acid
CID 62515495
2-(3-methylanilino)-5-nitrobenzoic acid
CID 3130546
2-(4-fluoroanilino)-5-methylbenzoic acid
CID 55222818
2-(2,6-difluoroanilino)-5-methylbenzoic acid
CID 63537820
2-(3-chloro-4-fluoroanilino)-5-methylbenzoic acid
CID 63537148
2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-5-methylbenzoic acid
CID 62514114
2-[3-(2-carboxyanilino)anilino]benzoic acid
CID 21179580
2-[[6-(3-methylanilino)pyrimidin-4-yl]amino]benzoic acid
CID 113195056
2-(4-bromo-2,3-dichloroanilino)-5-methylbenzoic acid
CID 107791139
2,5-dimethyl-N-(3-methylphenyl)benzamide
CID 925357
2-[(5-fluoro-6-phenyl-3-pyridinyl)amino]-5-methylbenzoic acid
CID 25186450

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-(3-methylanilino)benzoic acid?
The IUPAC name of 5-methyl-2-(3-methylanilino)benzoic acid (CID 19749262) is 5-methyl-2-(3-methylanilino)benzoic acid.
What is the SMILES notation for 5-methyl-2-(3-methylanilino)benzoic acid?
The canonical SMILES for 5-methyl-2-(3-methylanilino)benzoic acid is Cc1cccc(Nc2ccc(C)cc2C(=O)O)c1.
What is the InChIKey of 5-methyl-2-(3-methylanilino)benzoic acid?
The InChIKey is GPFFZPIDHNLZBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO2/c1-10-4-3-5-12(8-10)16-14-7-6-11(2)9-13(14)15(17)18/h3-9,16H,1-2H3,(H,17,18).
What are the key properties of 5-methyl-2-(3-methylanilino)benzoic acid?
5-methyl-2-(3-methylanilino)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 5-methyl-2-(3-methylanilino)benzoic acid is sourced from PubChem (CID 19749262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).