4-(dimethylamino)benzoic acid;ethanamine

C11H18N2O2 — CID 159433676

IUPAC4-(dimethylamino)benzoic acid;ethanamine
SMILESCCN.CN(C)c1ccc(C(=O)O)cc1
InChIInChI=1S/C9H11NO2.C2H7N/c1-10(2)8-5-3-7(4-6-8)9(11)12;1-2-3/h3-6H,1-2H3,(H,11,12);2-3H2,1H3
InChIKeyLRHMDMFHLJYUBW-UHFFFAOYSA-N
MW210.28 g/mol
LogP1.42
Rot. Bonds2

About 4-(dimethylamino)benzoic acid;ethanamine

4-(dimethylamino)benzoic acid;ethanamine (PubChem CID 159433676) has the molecular formula C11H18N2O2 and a molecular weight of 210.28 g/mol. Its IUPAC name is 4-(dimethylamino)benzoic acid;ethanamine.

Molecular Properties

Compound Name4-(dimethylamino)benzoic acid;ethanamine
PubChem CID159433676
Molecular FormulaC11H18N2O2
Molecular Weight210.28 g/mol
Exact Mass210.14
IUPAC Name4-(dimethylamino)benzoic acid;ethanamine
SMILESCCN.CN(C)c1ccc(C(=O)O)cc1
InChIInChI=1S/C9H11NO2.C2H7N/c1-10(2)8-5-3-7(4-6-8)9(11)12;1-2-3/h3-6H,1-2H3,(H,11,12);2-3H2,1H3
InChIKeyLRHMDMFHLJYUBW-UHFFFAOYSA-N
XLogP1.42
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-(dimethylamino)benzoic acid;ethanamine 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-(dimethylamino)benzoic acid;hydrochloride
CID 67236590
4-(dimethylamino)benzoic acid;ethoxyethane
CID 69006892
4-aminobenzoic acid;4-N,4-N-dimethylbenzene-1,4-diamine
CID 144734736
2-[bis(2-hydroxypropan-2-yl)amino]propan-2-ol;4-(dimethylamino)benzoic acid
CID 174923896
4-(dimethylamino)benzoic acid;2-ethylbenzoic acid
CID 159516213
4-[amino-(N-aminoanilino)amino]benzoic acid;ethanethiol
CID 144503984
N-(1-aminopropan-2-yl)-4-(dimethylamino)-N-methylbenzamide
CID 104556646
4-[2-[4-(dimethylamino)phenyl]ethoxy]benzoic acid
CID 66812492
2-[4-(dimethylamino)benzoyl]oxyethyl 4-(dimethylamino)benzoate
CID 12811915
4-[[(2S)-2-aminobutanoyl]-methylamino]benzoic acid
CID 113442786
[4-(dimethylamino)phenyl]-phenylmethanone
CID 10737

Frequently Asked Questions

What is the IUPAC name of 4-(dimethylamino)benzoic acid;ethanamine?
The IUPAC name of 4-(dimethylamino)benzoic acid;ethanamine (CID 159433676) is 4-(dimethylamino)benzoic acid;ethanamine.
What is the SMILES notation for 4-(dimethylamino)benzoic acid;ethanamine?
The canonical SMILES for 4-(dimethylamino)benzoic acid;ethanamine is CCN.CN(C)c1ccc(C(=O)O)cc1.
What is the InChIKey of 4-(dimethylamino)benzoic acid;ethanamine?
The InChIKey is LRHMDMFHLJYUBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO2.C2H7N/c1-10(2)8-5-3-7(4-6-8)9(11)12;1-2-3/h3-6H,1-2H3,(H,11,12);2-3H2,1H3.
What are the key properties of 4-(dimethylamino)benzoic acid;ethanamine?
4-(dimethylamino)benzoic acid;ethanamine has a molecular weight of 210.28 g/mol, XLogP of 1.42, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylamino)benzoic acid;ethanamine is sourced from PubChem (CID 159433676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).