5-[2-(dimethylamino)ethyl]-2-fluorobenzoic acid

C11H14FNO2 — CID 105464870

IUPAC5-[2-(dimethylamino)ethyl]-2-fluorobenzoic acid
SMILESCN(C)CCc1ccc(F)c(C(=O)O)c1
InChIInChI=1S/C11H14FNO2/c1-13(2)6-5-8-3-4-10(12)9(7-8)11(14)15/h3-4,7H,5-6H2,1-2H3,(H,14,15)
InChIKeyDBVLIIOCRAWXPT-UHFFFAOYSA-N
MW211.24 g/mol
LogP1.63
Rot. Bonds4

About 5-[2-(dimethylamino)ethyl]-2-fluorobenzoic acid

5-[2-(dimethylamino)ethyl]-2-fluorobenzoic acid (PubChem CID 105464870) has the molecular formula C11H14FNO2 and a molecular weight of 211.24 g/mol. Its IUPAC name is 5-[2-(dimethylamino)ethyl]-2-fluorobenzoic acid.

Molecular Properties

Compound Name5-[2-(dimethylamino)ethyl]-2-fluorobenzoic acid
PubChem CID105464870
Molecular FormulaC11H14FNO2
Molecular Weight211.24 g/mol
Exact Mass211.10
IUPAC Name5-[2-(dimethylamino)ethyl]-2-fluorobenzoic acid
SMILESCN(C)CCc1ccc(F)c(C(=O)O)c1
InChIInChI=1S/C11H14FNO2/c1-13(2)6-5-8-3-4-10(12)9(7-8)11(14)15/h3-4,7H,5-6H2,1-2H3,(H,14,15)
InChIKeyDBVLIIOCRAWXPT-UHFFFAOYSA-N
XLogP1.63
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.24
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 5-[2-(dimethylamino)ethyl]-2-fluorobenzoic acid 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

2-fluoro-5-(2-hydroxyethyl)benzoic acid
CID 2774487
5-(chloromethyl)-2-fluorobenzoic acid
CID 112692924
5-(2,2-dimethylpropyl)-2-fluorobenzoic acid
CID 115026901
5-[3-(dimethylamino)propyl-methylsulfamoyl]-2-fluorobenzoic acid
CID 63693254
2-fluoro-5-[(propan-2-ylamino)methyl]benzoic acid
CID 117222086
2-fluoro-5-[[methyl(oxan-4-yl)amino]methyl]benzoic acid
CID 114012202
5-[3-[ethyl(naphthalen-1-yl)amino]propyl]-2-fluorobenzoic acid
CID 67532479
5-[(N-ethylanilino)methyl]-2-fluorobenzoic acid
CID 107880589
2-fluoro-5-[[methyl-(2-methylcyclohexyl)amino]methyl]benzoic acid
CID 107880749
5-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]-2-fluorobenzoic acid
CID 107880683
1-[4-[2-(dimethylamino)ethyl]-2,6-difluorophenyl]ethanone
CID 122503474
5-[2-(2-carboxyphenyl)-2-oxoethyl]-2-fluorobenzoic acid
CID 153291500

Frequently Asked Questions

What is the IUPAC name of 5-[2-(dimethylamino)ethyl]-2-fluorobenzoic acid?
The IUPAC name of 5-[2-(dimethylamino)ethyl]-2-fluorobenzoic acid (CID 105464870) is 5-[2-(dimethylamino)ethyl]-2-fluorobenzoic acid.
What is the SMILES notation for 5-[2-(dimethylamino)ethyl]-2-fluorobenzoic acid?
The canonical SMILES for 5-[2-(dimethylamino)ethyl]-2-fluorobenzoic acid is CN(C)CCc1ccc(F)c(C(=O)O)c1.
What is the InChIKey of 5-[2-(dimethylamino)ethyl]-2-fluorobenzoic acid?
The InChIKey is DBVLIIOCRAWXPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FNO2/c1-13(2)6-5-8-3-4-10(12)9(7-8)11(14)15/h3-4,7H,5-6H2,1-2H3,(H,14,15).
What are the key properties of 5-[2-(dimethylamino)ethyl]-2-fluorobenzoic acid?
5-[2-(dimethylamino)ethyl]-2-fluorobenzoic acid has a molecular weight of 211.24 g/mol, XLogP of 1.63, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(dimethylamino)ethyl]-2-fluorobenzoic acid is sourced from PubChem (CID 105464870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).