2-methyl-5-(2,4,6-trimethylanilino)benzoic acid

C17H19NO2 — CID 155290586

IUPAC2-methyl-5-(2,4,6-trimethylanilino)benzoic acid
SMILESCc1cc(C)c(Nc2ccc(C)c(C(=O)O)c2)c(C)c1
InChIInChI=1S/C17H19NO2/c1-10-7-12(3)16(13(4)8-10)18-14-6-5-11(2)15(9-14)17(19)20/h5-9,18H,1-4H3,(H,19,20)
InChIKeyVSFVEXQRIKVJHV-UHFFFAOYSA-N
MW269.34 g/mol
LogP4.36
Rot. Bonds3

About 2-methyl-5-(2,4,6-trimethylanilino)benzoic acid

2-methyl-5-(2,4,6-trimethylanilino)benzoic acid (PubChem CID 155290586) has the molecular formula C17H19NO2 and a molecular weight of 269.34 g/mol. Its IUPAC name is 2-methyl-5-(2,4,6-trimethylanilino)benzoic acid.

Molecular Properties

Compound Name2-methyl-5-(2,4,6-trimethylanilino)benzoic acid
PubChem CID155290586
Molecular FormulaC17H19NO2
Molecular Weight269.34 g/mol
Exact Mass269.14
IUPAC Name2-methyl-5-(2,4,6-trimethylanilino)benzoic acid
SMILESCc1cc(C)c(Nc2ccc(C)c(C(=O)O)c2)c(C)c1
InChIInChI=1S/C17H19NO2/c1-10-7-12(3)16(13(4)8-10)18-14-6-5-11(2)15(9-14)17(19)20/h5-9,18H,1-4H3,(H,19,20)
InChIKeyVSFVEXQRIKVJHV-UHFFFAOYSA-N
XLogP4.36
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 54.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-methyl-5-(2,4,6-trimethylanilino)benzoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-amino-5-(2,4,6-trimethylanilino)benzoic acid
CID 60988908
2-amino-5-(2,4,6-trimethylanilino)benzamide
CID 61313467
5-(4-carbamoyl-3-methylanilino)-2-methylbenzoic acid
CID 81269584
methyl 2-amino-5-(2,4,6-trimethylanilino)benzoate
CID 63422225
2-methyl-5-[(6-methylpyrimidin-4-yl)amino]benzoic acid
CID 63653356
5-(4-cyanoanilino)-2-methylbenzoic acid
CID 63652832
5-[(2,5-dimethylbenzoyl)amino]-2-methylbenzoic acid
CID 63653663
5-(3-acetylanilino)-2-methylbenzoic acid
CID 155290240
2-methyl-5-(4-methyl-2-nitroanilino)benzoic acid
CID 63654393
5-(2,2-dimethylpropanoylamino)-2-methylbenzoic acid
CID 63652956
2-methyl-5-[(2-methylpyrimidin-4-yl)amino]benzoic acid
CID 63653352
2-methyl-5-(1,3-thiazol-2-ylamino)benzoic acid
CID 63654743

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-(2,4,6-trimethylanilino)benzoic acid?
The IUPAC name of 2-methyl-5-(2,4,6-trimethylanilino)benzoic acid (CID 155290586) is 2-methyl-5-(2,4,6-trimethylanilino)benzoic acid.
What is the SMILES notation for 2-methyl-5-(2,4,6-trimethylanilino)benzoic acid?
The canonical SMILES for 2-methyl-5-(2,4,6-trimethylanilino)benzoic acid is Cc1cc(C)c(Nc2ccc(C)c(C(=O)O)c2)c(C)c1.
What is the InChIKey of 2-methyl-5-(2,4,6-trimethylanilino)benzoic acid?
The InChIKey is VSFVEXQRIKVJHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO2/c1-10-7-12(3)16(13(4)8-10)18-14-6-5-11(2)15(9-14)17(19)20/h5-9,18H,1-4H3,(H,19,20).
What are the key properties of 2-methyl-5-(2,4,6-trimethylanilino)benzoic acid?
2-methyl-5-(2,4,6-trimethylanilino)benzoic acid has a molecular weight of 269.34 g/mol, XLogP of 4.36, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-(2,4,6-trimethylanilino)benzoic acid is sourced from PubChem (CID 155290586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).