3-(N,4-dimethylanilino)benzoic acid

C15H15NO2 — CID 102822798

IUPAC3-(N,4-dimethylanilino)benzoic acid
SMILESCc1ccc(N(C)c2cccc(C(=O)O)c2)cc1
InChIInChI=1S/C15H15NO2/c1-11-6-8-13(9-7-11)16(2)14-5-3-4-12(10-14)15(17)18/h3-10H,1-2H3,(H,17,18)
InChIKeyYUWFYMUGCRUHMG-UHFFFAOYSA-N
MW241.29 g/mol
LogP3.46
Rot. Bonds3

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

3-(N,4-dimethylanilino)benzoic acid (PubChem CID 102822798) has the molecular formula C15H15NO2 and a molecular weight of 241.29 g/mol. Its IUPAC name is 3-(N,4-dimethylanilino)benzoic acid.

Molecular Properties

Compound Name3-(N,4-dimethylanilino)benzoic acid
PubChem CID102822798
Molecular FormulaC15H15NO2
Molecular Weight241.29 g/mol
Exact Mass241.11
IUPAC Name3-(N,4-dimethylanilino)benzoic acid
SMILESCc1ccc(N(C)c2cccc(C(=O)O)c2)cc1
InChIInChI=1S/C15H15NO2/c1-11-6-8-13(9-7-11)16(2)14-5-3-4-12(10-14)15(17)18/h3-10H,1-2H3,(H,17,18)
InChIKeyYUWFYMUGCRUHMG-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

3-(4-chloro-N-methylanilino)benzoic acid
CID 117029301
3-(N,3,4-trimethylanilino)benzoic acid
CID 117029291
methyl 3-(N,4-dimethylanilino)benzoate
CID 11644561
4-(3-acetyl-N-methylanilino)benzoic acid
CID 117029329
benzoic acid;N-methyl-N-phenylaniline
CID 158055475
3-[methyl(pyrimidin-2-yl)amino]benzoic acid
CID 82512926
3-[methyl(1H-pyrrol-3-yl)amino]benzoic acid
CID 117043065
benzene;N,4-dimethyl-N-phenylaniline
CID 71196716
3-bromo-5-(N,3-dimethylanilino)benzoic acid
CID 102822791
ethane;N-methyl-N-[3-(N-methylanilino)phenyl]benzamide;N-methyl-3-(N-methylanilino)-N-phenylbenzamide
CID 161374433
3-(2-chloro-N-methylanilino)benzoic acid
CID 117029299
3-[methyl(thiophen-2-yl)amino]benzoic acid
CID 117043052

Frequently Asked Questions

What is the IUPAC name of 3-(N,4-dimethylanilino)benzoic acid?
The IUPAC name of 3-(N,4-dimethylanilino)benzoic acid (CID 102822798) is 3-(N,4-dimethylanilino)benzoic acid.
What is the SMILES notation for 3-(N,4-dimethylanilino)benzoic acid?
The canonical SMILES for 3-(N,4-dimethylanilino)benzoic acid is Cc1ccc(N(C)c2cccc(C(=O)O)c2)cc1.
What is the InChIKey of 3-(N,4-dimethylanilino)benzoic acid?
The InChIKey is YUWFYMUGCRUHMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO2/c1-11-6-8-13(9-7-11)16(2)14-5-3-4-12(10-14)15(17)18/h3-10H,1-2H3,(H,17,18).
What are the key properties of 3-(N,4-dimethylanilino)benzoic acid?
3-(N,4-dimethylanilino)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 3-(N,4-dimethylanilino)benzoic acid is sourced from PubChem (CID 102822798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).