2-methyl-4-(N-methylanilino)benzoic acid

C15H15NO2 — CID 62136290

IUPAC2-methyl-4-(N-methylanilino)benzoic acid
SMILESCc1cc(N(C)c2ccccc2)ccc1C(=O)O
InChIInChI=1S/C15H15NO2/c1-11-10-13(8-9-14(11)15(17)18)16(2)12-6-4-3-5-7-12/h3-10H,1-2H3,(H,17,18)
InChIKeyNIIUNBIZOQKQPB-UHFFFAOYSA-N
MW241.29 g/mol
LogP3.46
Rot. Bonds3

About 2-methyl-4-(N-methylanilino)benzoic acid

2-methyl-4-(N-methylanilino)benzoic acid (PubChem CID 62136290) has the molecular formula C15H15NO2 and a molecular weight of 241.29 g/mol. Its IUPAC name is 2-methyl-4-(N-methylanilino)benzoic acid.

Molecular Properties

Compound Name2-methyl-4-(N-methylanilino)benzoic acid
PubChem CID62136290
Molecular FormulaC15H15NO2
Molecular Weight241.29 g/mol
Exact Mass241.11
IUPAC Name2-methyl-4-(N-methylanilino)benzoic acid
SMILESCc1cc(N(C)c2ccccc2)ccc1C(=O)O
InChIInChI=1S/C15H15NO2/c1-11-10-13(8-9-14(11)15(17)18)16(2)12-6-4-3-5-7-12/h3-10H,1-2H3,(H,17,18)
InChIKeyNIIUNBIZOQKQPB-UHFFFAOYSA-N
XLogP3.46
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(3,5-dicyclopropyl-N-methylanilino)-2-methylbenzoic acid
CID 156776205
N'-hydroxy-2-methyl-4-(N-methylanilino)benzenecarboximidamide
CID 81277641
4-[2-methoxyethyl(methyl)amino]-2-methylbenzoic acid
CID 62135793
3-(N,3,4-trimethylanilino)benzoic acid
CID 117029291
4-[2,2-dimethylpropyl(methyl)amino]-2-methylbenzoic acid
CID 55038670
4-(N,2-dimethylanilino)-2-fluorobenzoic acid
CID 113319816
4-(N-methylanilino)benzoic acid;1-[4-(N-methylanilino)phenyl]ethanone
CID 159806188
benzoic acid;N-methyl-N-phenylaniline
CID 158055475
3-(N,4-dimethylanilino)benzoic acid
CID 102822798
4-(3-chloro-N,4-dimethylanilino)benzoic acid
CID 150399122
2-methyl-4-[methyl(2-propan-2-yloxyethyl)amino]benzoic acid
CID 81056950
4-fluoro-2-(N-methylanilino)benzoic acid
CID 83721799

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(N-methylanilino)benzoic acid?
The IUPAC name of 2-methyl-4-(N-methylanilino)benzoic acid (CID 62136290) is 2-methyl-4-(N-methylanilino)benzoic acid.
What is the SMILES notation for 2-methyl-4-(N-methylanilino)benzoic acid?
The canonical SMILES for 2-methyl-4-(N-methylanilino)benzoic acid is Cc1cc(N(C)c2ccccc2)ccc1C(=O)O.
What is the InChIKey of 2-methyl-4-(N-methylanilino)benzoic acid?
The InChIKey is NIIUNBIZOQKQPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO2/c1-11-10-13(8-9-14(11)15(17)18)16(2)12-6-4-3-5-7-12/h3-10H,1-2H3,(H,17,18).
What are the key properties of 2-methyl-4-(N-methylanilino)benzoic acid?
2-methyl-4-(N-methylanilino)benzoic acid has a molecular weight of 241.29 g/mol, XLogP of 3.46, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(N-methylanilino)benzoic acid is sourced from PubChem (CID 62136290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).