2-fluoro-6-[2-methylpropyl(propan-2-yl)amino]benzoic acid

C14H20FNO2 — CID 79511953

IUPAC2-fluoro-6-[2-methylpropyl(propan-2-yl)amino]benzoic acid
SMILESCC(C)CN(c1cccc(F)c1C(=O)O)C(C)C
InChIInChI=1S/C14H20FNO2/c1-9(2)8-16(10(3)4)12-7-5-6-11(15)13(12)14(17)18/h5-7,9-10H,8H2,1-4H3,(H,17,18)
InChIKeyBSRLRQUZFKAELJ-UHFFFAOYSA-N
MW253.32 g/mol
LogP3.39
Rot. Bonds5

About 2-fluoro-6-[2-methylpropyl(propan-2-yl)amino]benzoic acid

2-fluoro-6-[2-methylpropyl(propan-2-yl)amino]benzoic acid (PubChem CID 79511953) has the molecular formula C14H20FNO2 and a molecular weight of 253.32 g/mol. Its IUPAC name is 2-fluoro-6-[2-methylpropyl(propan-2-yl)amino]benzoic acid.

Molecular Properties

Compound Name2-fluoro-6-[2-methylpropyl(propan-2-yl)amino]benzoic acid
PubChem CID79511953
Molecular FormulaC14H20FNO2
Molecular Weight253.32 g/mol
Exact Mass253.15
IUPAC Name2-fluoro-6-[2-methylpropyl(propan-2-yl)amino]benzoic acid
SMILESCC(C)CN(c1cccc(F)c1C(=O)O)C(C)C
InChIInChI=1S/C14H20FNO2/c1-9(2)8-16(10(3)4)12-7-5-6-11(15)13(12)14(17)18/h5-7,9-10H,8H2,1-4H3,(H,17,18)
InChIKeyBSRLRQUZFKAELJ-UHFFFAOYSA-N
XLogP3.39
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.32
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-fluoro-6-[2-methylpropyl(propan-2-yl)amino]benzoic 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-[propan-2-yl(thiophen-2-ylmethyl)amino]benzoic acid
CID 79511320
(1S)-1-[2-fluoro-6-[2-methylpropyl(propan-2-yl)amino]phenyl]ethanol
CID 55183938
3-(2-fluoro-N-propan-2-ylanilino)-2-methylpropanoic acid
CID 82318676
2-fluoro-6-(4-methylpentanoylamino)benzoic acid
CID 43442857
1-[2-[1-(dimethylamino)propan-2-yl-ethylamino]-6-fluorophenyl]ethanone
CID 103189335
2,6-dimethyl-4-[2-methylpropyl(propan-2-yl)amino]pyridine-3-carboxylic acid
CID 81053301
2-fluoro-6-[methyl(2-pyridin-2-ylethyl)amino]benzoic acid
CID 79522521
2-chloro-6-[propan-2-yl(propyl)amino]benzoic acid
CID 43269747
2-fluoro-6-[methyl(3,3,3-trifluoropropyl)amino]benzoic acid
CID 79512136
2-[ethyl(2,2,2-trifluoroethyl)amino]-6-fluorobenzoic acid
CID 79522128
2-[ethyl(propan-2-yl)amino]-6-ethylsulfanylbenzoic acid
CID 113386135
2-[(1-ethylpiperidin-4-yl)-methylamino]-6-fluorobenzoic acid
CID 79512417

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-6-[2-methylpropyl(propan-2-yl)amino]benzoic acid?
The IUPAC name of 2-fluoro-6-[2-methylpropyl(propan-2-yl)amino]benzoic acid (CID 79511953) is 2-fluoro-6-[2-methylpropyl(propan-2-yl)amino]benzoic acid.
What is the SMILES notation for 2-fluoro-6-[2-methylpropyl(propan-2-yl)amino]benzoic acid?
The canonical SMILES for 2-fluoro-6-[2-methylpropyl(propan-2-yl)amino]benzoic acid is CC(C)CN(c1cccc(F)c1C(=O)O)C(C)C.
What is the InChIKey of 2-fluoro-6-[2-methylpropyl(propan-2-yl)amino]benzoic acid?
The InChIKey is BSRLRQUZFKAELJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO2/c1-9(2)8-16(10(3)4)12-7-5-6-11(15)13(12)14(17)18/h5-7,9-10H,8H2,1-4H3,(H,17,18).
What are the key properties of 2-fluoro-6-[2-methylpropyl(propan-2-yl)amino]benzoic acid?
2-fluoro-6-[2-methylpropyl(propan-2-yl)amino]benzoic acid has a molecular weight of 253.32 g/mol, XLogP of 3.39, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-6-[2-methylpropyl(propan-2-yl)amino]benzoic acid is sourced from PubChem (CID 79511953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).