2-amino-6-(diethylamino)-3-fluorobenzoic acid

C11H15FN2O2 — CID 83215090

IUPAC2-amino-6-(diethylamino)-3-fluorobenzoic acid
SMILESCCN(CC)c1ccc(F)c(N)c1C(=O)O
InChIInChI=1S/C11H15FN2O2/c1-3-14(4-2)8-6-5-7(12)10(13)9(8)11(15)16/h5-6H,3-4,13H2,1-2H3,(H,15,16)
InChIKeyRLRLLIOUWZELAR-UHFFFAOYSA-N
MW226.25 g/mol
LogP1.95
Rot. Bonds4

About 2-amino-6-(diethylamino)-3-fluorobenzoic acid

2-amino-6-(diethylamino)-3-fluorobenzoic acid (PubChem CID 83215090) has the molecular formula C11H15FN2O2 and a molecular weight of 226.25 g/mol. Its IUPAC name is 2-amino-6-(diethylamino)-3-fluorobenzoic acid.

Molecular Properties

Compound Name2-amino-6-(diethylamino)-3-fluorobenzoic acid
PubChem CID83215090
Molecular FormulaC11H15FN2O2
Molecular Weight226.25 g/mol
Exact Mass226.11
IUPAC Name2-amino-6-(diethylamino)-3-fluorobenzoic acid
SMILESCCN(CC)c1ccc(F)c(N)c1C(=O)O
InChIInChI=1S/C11H15FN2O2/c1-3-14(4-2)8-6-5-7(12)10(13)9(8)11(15)16/h5-6H,3-4,13H2,1-2H3,(H,15,16)
InChIKeyRLRLLIOUWZELAR-UHFFFAOYSA-N
XLogP1.95
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.25
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 2-amino-6-(diethylamino)-3-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

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-(diethylamino)-3-fluorobenzoic acid?
The IUPAC name of 2-amino-6-(diethylamino)-3-fluorobenzoic acid (CID 83215090) is 2-amino-6-(diethylamino)-3-fluorobenzoic acid.
What is the SMILES notation for 2-amino-6-(diethylamino)-3-fluorobenzoic acid?
The canonical SMILES for 2-amino-6-(diethylamino)-3-fluorobenzoic acid is CCN(CC)c1ccc(F)c(N)c1C(=O)O.
What is the InChIKey of 2-amino-6-(diethylamino)-3-fluorobenzoic acid?
The InChIKey is RLRLLIOUWZELAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FN2O2/c1-3-14(4-2)8-6-5-7(12)10(13)9(8)11(15)16/h5-6H,3-4,13H2,1-2H3,(H,15,16).
What are the key properties of 2-amino-6-(diethylamino)-3-fluorobenzoic acid?
2-amino-6-(diethylamino)-3-fluorobenzoic acid has a molecular weight of 226.25 g/mol, XLogP of 1.95, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-(diethylamino)-3-fluorobenzoic acid is sourced from PubChem (CID 83215090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).