2-[2-(dimethylamino)propylamino]-6-fluorobenzoic acid

C12H17FN2O2 — CID 79522672

IUPAC2-[2-(dimethylamino)propylamino]-6-fluorobenzoic acid
SMILESCC(CNc1cccc(F)c1C(=O)O)N(C)C
InChIInChI=1S/C12H17FN2O2/c1-8(15(2)3)7-14-10-6-4-5-9(13)11(10)12(16)17/h4-6,8,14H,7H2,1-3H3,(H,16,17)
InChIKeyQSIXRSHWGLUVSB-UHFFFAOYSA-N
MW240.28 g/mol
LogP1.89
Rot. Bonds5

About 2-[2-(dimethylamino)propylamino]-6-fluorobenzoic acid

2-[2-(dimethylamino)propylamino]-6-fluorobenzoic acid (PubChem CID 79522672) has the molecular formula C12H17FN2O2 and a molecular weight of 240.28 g/mol. Its IUPAC name is 2-[2-(dimethylamino)propylamino]-6-fluorobenzoic acid.

Molecular Properties

Compound Name2-[2-(dimethylamino)propylamino]-6-fluorobenzoic acid
PubChem CID79522672
Molecular FormulaC12H17FN2O2
Molecular Weight240.28 g/mol
Exact Mass240.13
IUPAC Name2-[2-(dimethylamino)propylamino]-6-fluorobenzoic acid
SMILESCC(CNc1cccc(F)c1C(=O)O)N(C)C
InChIInChI=1S/C12H17FN2O2/c1-8(15(2)3)7-14-10-6-4-5-9(13)11(10)12(16)17/h4-6,8,14H,7H2,1-3H3,(H,16,17)
InChIKeyQSIXRSHWGLUVSB-UHFFFAOYSA-N
XLogP1.89
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.28
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[2-(dimethylamino)propylamino]-6-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-6-(2-piperidin-1-ylpropylamino)benzoic acid
CID 79522274
2-fluoro-6-(propylamino)benzoic acid
CID 79522268
2-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]-6-fluorobenzoic acid
CID 79522755
2-fluoro-6-(prop-2-ynylamino)benzoic acid
CID 79522669
2-fluoro-6-(4-methylhexan-2-ylamino)benzoic acid
CID 79512135
2-(butan-2-ylcarbamoylamino)-6-fluorobenzoic acid
CID 61187180
2-(diethylcarbamoylamino)-6-fluorobenzoic acid
CID 61187513
2-(1-ethoxypropan-2-ylamino)-6-fluorobenzoic acid
CID 79522042
2-fluoro-6-(heptan-2-ylamino)benzoic acid
CID 79522598
2-fluoro-6-[[methyl(3-methylbutan-2-yl)carbamoyl]amino]benzoic acid
CID 61202324
2-fluoro-6-(3-methylpentanoylamino)benzoic acid
CID 114873617
2-[1-(dimethylamino)propan-2-ylcarbamoylamino]-6-fluorobenzoic acid
CID 82939627

Frequently Asked Questions

What is the IUPAC name of 2-[2-(dimethylamino)propylamino]-6-fluorobenzoic acid?
The IUPAC name of 2-[2-(dimethylamino)propylamino]-6-fluorobenzoic acid (CID 79522672) is 2-[2-(dimethylamino)propylamino]-6-fluorobenzoic acid.
What is the SMILES notation for 2-[2-(dimethylamino)propylamino]-6-fluorobenzoic acid?
The canonical SMILES for 2-[2-(dimethylamino)propylamino]-6-fluorobenzoic acid is CC(CNc1cccc(F)c1C(=O)O)N(C)C.
What is the InChIKey of 2-[2-(dimethylamino)propylamino]-6-fluorobenzoic acid?
The InChIKey is QSIXRSHWGLUVSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2O2/c1-8(15(2)3)7-14-10-6-4-5-9(13)11(10)12(16)17/h4-6,8,14H,7H2,1-3H3,(H,16,17).
What are the key properties of 2-[2-(dimethylamino)propylamino]-6-fluorobenzoic acid?
2-[2-(dimethylamino)propylamino]-6-fluorobenzoic acid has a molecular weight of 240.28 g/mol, XLogP of 1.89, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(dimethylamino)propylamino]-6-fluorobenzoic acid is sourced from PubChem (CID 79522672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).