3-fluoro-2-(2-methylpropylamino)benzoic acid

C11H14FNO2 — CID 62649634

IUPAC3-fluoro-2-(2-methylpropylamino)benzoic acid
SMILESCC(C)CNc1c(F)cccc1C(=O)O
InChIInChI=1S/C11H14FNO2/c1-7(2)6-13-10-8(11(14)15)4-3-5-9(10)12/h3-5,7,13H,6H2,1-2H3,(H,14,15)
InChIKeyCWNIKGUWULKHRZ-UHFFFAOYSA-N
MW211.24 g/mol
LogP2.59
Rot. Bonds4

About 3-fluoro-2-(2-methylpropylamino)benzoic acid

3-fluoro-2-(2-methylpropylamino)benzoic acid (PubChem CID 62649634) has the molecular formula C11H14FNO2 and a molecular weight of 211.24 g/mol. Its IUPAC name is 3-fluoro-2-(2-methylpropylamino)benzoic acid.

Molecular Properties

Compound Name3-fluoro-2-(2-methylpropylamino)benzoic acid
PubChem CID62649634
Molecular FormulaC11H14FNO2
Molecular Weight211.24 g/mol
Exact Mass211.10
IUPAC Name3-fluoro-2-(2-methylpropylamino)benzoic acid
SMILESCC(C)CNc1c(F)cccc1C(=O)O
InChIInChI=1S/C11H14FNO2/c1-7(2)6-13-10-8(11(14)15)4-3-5-9(10)12/h3-5,7,13H,6H2,1-2H3,(H,14,15)
InChIKeyCWNIKGUWULKHRZ-UHFFFAOYSA-N
XLogP2.59
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.24
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-2-(2-methylpropylamino)benzoic acid
CID 112577622
2,6-difluoro-N-(2-methylpropyl)aniline
CID 28974507
3-fluoro-2-[2-(3-methylbutoxy)ethylamino]benzoic acid
CID 62649052
3-fluoro-2-(5-methylhexan-2-ylamino)benzoic acid
CID 63925104
3-fluoro-2-[(4-methylphenyl)methylamino]benzoic acid
CID 62648664
2-(chloroamino)-3-fluorobenzoic acid
CID 139823776
3-fluoro-2-(hydroxyamino)benzoic acid
CID 82863522
3-fluoro-2-(2-phenylethylamino)benzoic acid
CID 62650969
3-fluoro-2-(4-hydroxybutylamino)benzoic acid
CID 106842392
3-fluoro-2-[2-(methylsulfamoyl)ethylamino]benzoic acid
CID 114175610
3-fluoro-2-[(3-hydroxy-4-methoxybutyl)amino]benzoic acid
CID 114163756
3-fluoro-2-hydrazinylbenzoic acid
CID 82007573

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-2-(2-methylpropylamino)benzoic acid?
The IUPAC name of 3-fluoro-2-(2-methylpropylamino)benzoic acid (CID 62649634) is 3-fluoro-2-(2-methylpropylamino)benzoic acid.
What is the SMILES notation for 3-fluoro-2-(2-methylpropylamino)benzoic acid?
The canonical SMILES for 3-fluoro-2-(2-methylpropylamino)benzoic acid is CC(C)CNc1c(F)cccc1C(=O)O.
What is the InChIKey of 3-fluoro-2-(2-methylpropylamino)benzoic acid?
The InChIKey is CWNIKGUWULKHRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FNO2/c1-7(2)6-13-10-8(11(14)15)4-3-5-9(10)12/h3-5,7,13H,6H2,1-2H3,(H,14,15).
What are the key properties of 3-fluoro-2-(2-methylpropylamino)benzoic acid?
3-fluoro-2-(2-methylpropylamino)benzoic acid has a molecular weight of 211.24 g/mol, XLogP of 2.59, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-2-(2-methylpropylamino)benzoic acid is sourced from PubChem (CID 62649634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).