4-(dimethylamino)benzoic acid;hydrochloride

C9H12ClNO2 — CID 67236590

IUPAC4-(dimethylamino)benzoic acid;hydrochloride
SMILESCN(C)c1ccc(C(=O)O)cc1.Cl
InChIInChI=1S/C9H11NO2.ClH/c1-10(2)8-5-3-7(4-6-8)9(11)12;/h3-6H,1-2H3,(H,11,12);1H
InChIKeyUQGYBXUXYKZNQF-UHFFFAOYSA-N
MW201.65 g/mol
LogP1.87
Rot. Bonds2

About 4-(dimethylamino)benzoic acid;hydrochloride

4-(dimethylamino)benzoic acid;hydrochloride (PubChem CID 67236590) has the molecular formula C9H12ClNO2 and a molecular weight of 201.65 g/mol. Its IUPAC name is 4-(dimethylamino)benzoic acid;hydrochloride.

Molecular Properties

Compound Name4-(dimethylamino)benzoic acid;hydrochloride
PubChem CID67236590
Molecular FormulaC9H12ClNO2
Molecular Weight201.65 g/mol
Exact Mass201.06
IUPAC Name4-(dimethylamino)benzoic acid;hydrochloride
SMILESCN(C)c1ccc(C(=O)O)cc1.Cl
InChIInChI=1S/C9H11NO2.ClH/c1-10(2)8-5-3-7(4-6-8)9(11)12;/h3-6H,1-2H3,(H,11,12);1H
InChIKeyUQGYBXUXYKZNQF-UHFFFAOYSA-N
XLogP1.87
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.65
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-(dimethylamino)benzoic acid;hydrochloride 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

CID 69397190
CID 69397190
4-aminobenzoic acid;4-N,4-N-dimethylbenzene-1,4-diamine
CID 144734736
4-(dimethylamino)benzoic acid;ethanamine
CID 159433676
2-[bis(2-hydroxypropan-2-yl)amino]propan-2-ol;4-(dimethylamino)benzoic acid
CID 174923896
4-(dimethylamino)benzoic acid;ethoxyethane
CID 69006892
[4-(dimethylamino)phenyl]-phenylmethanone
CID 10737
4-(dimethylamino)benzoic acid;2-ethylbenzoic acid
CID 159516213
4-carboxyphenolate;N,N-dimethylpyridin-1-ium-4-amine
CID 139147116
terephthalic acid
CID 160582437
4-[2-[4-(dimethylamino)phenyl]ethoxy]benzoic acid
CID 66812492
4-(dimethylamino)benzoyl fluoride;ethane
CID 90963385
4-[methyl-(methylideneamino)amino]benzoic acid
CID 142616286

Frequently Asked Questions

What is the IUPAC name of 4-(dimethylamino)benzoic acid;hydrochloride?
The IUPAC name of 4-(dimethylamino)benzoic acid;hydrochloride (CID 67236590) is 4-(dimethylamino)benzoic acid;hydrochloride.
What is the SMILES notation for 4-(dimethylamino)benzoic acid;hydrochloride?
The canonical SMILES for 4-(dimethylamino)benzoic acid;hydrochloride is CN(C)c1ccc(C(=O)O)cc1.Cl.
What is the InChIKey of 4-(dimethylamino)benzoic acid;hydrochloride?
The InChIKey is UQGYBXUXYKZNQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO2.ClH/c1-10(2)8-5-3-7(4-6-8)9(11)12;/h3-6H,1-2H3,(H,11,12);1H.
What are the key properties of 4-(dimethylamino)benzoic acid;hydrochloride?
4-(dimethylamino)benzoic acid;hydrochloride has a molecular weight of 201.65 g/mol, XLogP of 1.87, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylamino)benzoic acid;hydrochloride is sourced from PubChem (CID 67236590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).