4-(2,4-dimethylanilino)-3-methylbenzoic acid

C16H17NO2 — CID 55225092

IUPAC4-(2,4-dimethylanilino)-3-methylbenzoic acid
SMILESCc1ccc(Nc2ccc(C(=O)O)cc2C)c(C)c1
InChIInChI=1S/C16H17NO2/c1-10-4-6-14(11(2)8-10)17-15-7-5-13(16(18)19)9-12(15)3/h4-9,17H,1-3H3,(H,18,19)
InChIKeyPGWDFQFSLYHQHD-UHFFFAOYSA-N
MW255.32 g/mol
LogP4.05
Rot. Bonds3

About 4-(2,4-dimethylanilino)-3-methylbenzoic acid

4-(2,4-dimethylanilino)-3-methylbenzoic acid (PubChem CID 55225092) has the molecular formula C16H17NO2 and a molecular weight of 255.32 g/mol. Its IUPAC name is 4-(2,4-dimethylanilino)-3-methylbenzoic acid.

Molecular Properties

Compound Name4-(2,4-dimethylanilino)-3-methylbenzoic acid
PubChem CID55225092
Molecular FormulaC16H17NO2
Molecular Weight255.32 g/mol
Exact Mass255.13
IUPAC Name4-(2,4-dimethylanilino)-3-methylbenzoic acid
SMILESCc1ccc(Nc2ccc(C(=O)O)cc2C)c(C)c1
InChIInChI=1S/C16H17NO2/c1-10-4-6-14(11(2)8-10)17-15-7-5-13(16(18)19)9-12(15)3/h4-9,17H,1-3H3,(H,18,19)
InChIKeyPGWDFQFSLYHQHD-UHFFFAOYSA-N
XLogP4.05
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-(2,4-dimethylanilino)-2-methylquinoline-6-carboxylic acid
CID 7719183
4-(2,4-dimethylphenyl)-3-methylbenzoic acid
CID 53225261
3-methyl-4-[(4-methylbenzoyl)amino]benzoic acid
CID 16777399
4-(2,4-dimethylanilino)-3,5-difluorobenzoic acid
CID 63539306
4-(3,4-dimethylanilino)-3-methylbenzoic acid
CID 63538637
4-(2,5-difluoroanilino)-3-methylbenzoic acid
CID 63212505
4-(4-cyanoanilino)-3-methylbenzoic acid
CID 63212717
4-(4-bromo-2-fluoroanilino)-3-methylbenzoic acid
CID 55224143
4-(2,6-dichloroanilino)-3-methylbenzoic acid
CID 65498818
4-(5-bromo-2-iodoanilino)-3-methylbenzoic acid
CID 114260464
3-methyl-4-(2-propylanilino)benzoic acid
CID 63537008
3-methyl-4-(5,6,7,8-tetrahydronaphthalen-1-ylamino)benzoic acid
CID 63526781

Frequently Asked Questions

What is the IUPAC name of 4-(2,4-dimethylanilino)-3-methylbenzoic acid?
The IUPAC name of 4-(2,4-dimethylanilino)-3-methylbenzoic acid (CID 55225092) is 4-(2,4-dimethylanilino)-3-methylbenzoic acid.
What is the SMILES notation for 4-(2,4-dimethylanilino)-3-methylbenzoic acid?
The canonical SMILES for 4-(2,4-dimethylanilino)-3-methylbenzoic acid is Cc1ccc(Nc2ccc(C(=O)O)cc2C)c(C)c1.
What is the InChIKey of 4-(2,4-dimethylanilino)-3-methylbenzoic acid?
The InChIKey is PGWDFQFSLYHQHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO2/c1-10-4-6-14(11(2)8-10)17-15-7-5-13(16(18)19)9-12(15)3/h4-9,17H,1-3H3,(H,18,19).
What are the key properties of 4-(2,4-dimethylanilino)-3-methylbenzoic acid?
4-(2,4-dimethylanilino)-3-methylbenzoic acid has a molecular weight of 255.32 g/mol, XLogP of 4.05, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-dimethylanilino)-3-methylbenzoic acid is sourced from PubChem (CID 55225092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).