4-(dimethylamino)benzoic acid;ethoxyethane

C13H21NO3 — CID 69006892

IUPAC4-(dimethylamino)benzoic acid;ethoxyethane
SMILESCCOCC.CN(C)c1ccc(C(=O)O)cc1
InChIInChI=1S/C9H11NO2.C4H10O/c1-10(2)8-5-3-7(4-6-8)9(11)12;1-3-5-4-2/h3-6H,1-2H3,(H,11,12);3-4H2,1-2H3
InChIKeyVZRVLQBWFVHZHX-UHFFFAOYSA-N
MW239.31 g/mol
LogP2.49
Rot. Bonds4

About 4-(dimethylamino)benzoic acid;ethoxyethane

4-(dimethylamino)benzoic acid;ethoxyethane (PubChem CID 69006892) has the molecular formula C13H21NO3 and a molecular weight of 239.31 g/mol. Its IUPAC name is 4-(dimethylamino)benzoic acid;ethoxyethane.

Molecular Properties

Compound Name4-(dimethylamino)benzoic acid;ethoxyethane
PubChem CID69006892
Molecular FormulaC13H21NO3
Molecular Weight239.31 g/mol
Exact Mass239.15
IUPAC Name4-(dimethylamino)benzoic acid;ethoxyethane
SMILESCCOCC.CN(C)c1ccc(C(=O)O)cc1
InChIInChI=1S/C9H11NO2.C4H10O/c1-10(2)8-5-3-7(4-6-8)9(11)12;1-3-5-4-2/h3-6H,1-2H3,(H,11,12);3-4H2,1-2H3
InChIKeyVZRVLQBWFVHZHX-UHFFFAOYSA-N
XLogP2.49
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.31
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-(dimethylamino)benzoic acid;ethoxyethane 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

4-(dimethylamino)benzoic acid;ethanamine
CID 159433676
CID 69397190
CID 69397190
4-(dimethylamino)benzoic acid;hydrochloride
CID 67236590
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-[2-[4-(dimethylamino)phenyl]ethoxy]benzoic acid
CID 66812492
benzoic acid;chloroform;ethoxyethane;hydrochloride
CID 70571094
ethyl 4-[4-(dimethylamino)benzoyl]piperazine-1-carboxylate
CID 35508651
2-[4-(dimethylamino)benzoyl]oxyethyl 4-(dimethylamino)benzoate
CID 12811915
4-(dimethylamino)benzoic acid;octan-2-yl nitrite
CID 158388298
4-[2-[2-[2-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl-methylamino]benzoic acid
CID 176755063

Frequently Asked Questions

What is the IUPAC name of 4-(dimethylamino)benzoic acid;ethoxyethane?
The IUPAC name of 4-(dimethylamino)benzoic acid;ethoxyethane (CID 69006892) is 4-(dimethylamino)benzoic acid;ethoxyethane.
What is the SMILES notation for 4-(dimethylamino)benzoic acid;ethoxyethane?
The canonical SMILES for 4-(dimethylamino)benzoic acid;ethoxyethane is CCOCC.CN(C)c1ccc(C(=O)O)cc1.
What is the InChIKey of 4-(dimethylamino)benzoic acid;ethoxyethane?
The InChIKey is VZRVLQBWFVHZHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO2.C4H10O/c1-10(2)8-5-3-7(4-6-8)9(11)12;1-3-5-4-2/h3-6H,1-2H3,(H,11,12);3-4H2,1-2H3.
What are the key properties of 4-(dimethylamino)benzoic acid;ethoxyethane?
4-(dimethylamino)benzoic acid;ethoxyethane has a molecular weight of 239.31 g/mol, XLogP of 2.49, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylamino)benzoic acid;ethoxyethane is sourced from PubChem (CID 69006892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).