4-(5-fluoro-2-methylphenoxy)-2-methyl-2-(methylamino)butanoic acid

C13H18FNO3 — CID 102983965

IUPAC4-(5-fluoro-2-methylphenoxy)-2-methyl-2-(methylamino)butanoic acid
SMILESCNC(C)(CCOc1cc(F)ccc1C)C(=O)O
InChIInChI=1S/C13H18FNO3/c1-9-4-5-10(14)8-11(9)18-7-6-13(2,15-3)12(16)17/h4-5,8,15H,6-7H2,1-3H3,(H,16,17)
InChIKeyCUOVGKIBJXCSFN-UHFFFAOYSA-N
MW255.29 g/mol
LogP1.97
Rot. Bonds6

About 4-(5-fluoro-2-methylphenoxy)-2-methyl-2-(methylamino)butanoic acid

4-(5-fluoro-2-methylphenoxy)-2-methyl-2-(methylamino)butanoic acid (PubChem CID 102983965) has the molecular formula C13H18FNO3 and a molecular weight of 255.29 g/mol. Its IUPAC name is 4-(5-fluoro-2-methylphenoxy)-2-methyl-2-(methylamino)butanoic acid.

Molecular Properties

Compound Name4-(5-fluoro-2-methylphenoxy)-2-methyl-2-(methylamino)butanoic acid
PubChem CID102983965
Molecular FormulaC13H18FNO3
Molecular Weight255.29 g/mol
Exact Mass255.13
IUPAC Name4-(5-fluoro-2-methylphenoxy)-2-methyl-2-(methylamino)butanoic acid
SMILESCNC(C)(CCOc1cc(F)ccc1C)C(=O)O
InChIInChI=1S/C13H18FNO3/c1-9-4-5-10(14)8-11(9)18-7-6-13(2,15-3)12(16)17/h4-5,8,15H,6-7H2,1-3H3,(H,16,17)
InChIKeyCUOVGKIBJXCSFN-UHFFFAOYSA-N
XLogP1.97
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.29
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-(5-fluoro-2-methylphenoxy)-2-methyl-2-(methylamino)butanoic 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

methyl 2-(cyclopropylamino)-4-(5-fluoro-2-methylphenoxy)-2-methylbutanoate
CID 102983783
5-(5-fluoro-2-methylphenoxy)-2-methyl-2-(propylamino)pentanamide
CID 102983576
4-(5-fluoro-2-methylphenoxy)-2-(methylamino)butanamide
CID 102983847
2,2-dimethyl-4-(2-methylphenoxy)butanoic acid
CID 65248196
methyl 4-(2,5-difluorophenoxy)-2-methyl-2-(propylamino)butanoate
CID 63269935
4-(5-fluoro-2-methylphenoxy)-2-methyl-2-(propan-2-ylamino)butanenitrile
CID 102983469
2-methyl-2-(methylamino)-3-(2,4,5-trimethylphenoxy)propanoic acid
CID 116821337
ethyl 4-(5-fluoro-2-methylphenoxy)-2-methyl-2-(methylamino)pentanoate
CID 102983589
6-(5-fluoro-2-methylphenoxy)hexanehydrazide
CID 102987680
4-(2,5-difluorophenoxy)-2-methyl-2-(methylamino)butan-1-ol
CID 64808680
2-methyl-2-[2-(2-methylphenoxy)ethylamino]butanoic acid
CID 79789369
N-[2-(5-fluoro-2-methylphenoxy)ethyl]-2-methoxyethanamine
CID 102987264

Frequently Asked Questions

What is the IUPAC name of 4-(5-fluoro-2-methylphenoxy)-2-methyl-2-(methylamino)butanoic acid?
The IUPAC name of 4-(5-fluoro-2-methylphenoxy)-2-methyl-2-(methylamino)butanoic acid (CID 102983965) is 4-(5-fluoro-2-methylphenoxy)-2-methyl-2-(methylamino)butanoic acid.
What is the SMILES notation for 4-(5-fluoro-2-methylphenoxy)-2-methyl-2-(methylamino)butanoic acid?
The canonical SMILES for 4-(5-fluoro-2-methylphenoxy)-2-methyl-2-(methylamino)butanoic acid is CNC(C)(CCOc1cc(F)ccc1C)C(=O)O.
What is the InChIKey of 4-(5-fluoro-2-methylphenoxy)-2-methyl-2-(methylamino)butanoic acid?
The InChIKey is CUOVGKIBJXCSFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNO3/c1-9-4-5-10(14)8-11(9)18-7-6-13(2,15-3)12(16)17/h4-5,8,15H,6-7H2,1-3H3,(H,16,17).
What are the key properties of 4-(5-fluoro-2-methylphenoxy)-2-methyl-2-(methylamino)butanoic acid?
4-(5-fluoro-2-methylphenoxy)-2-methyl-2-(methylamino)butanoic acid has a molecular weight of 255.29 g/mol, XLogP of 1.97, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-fluoro-2-methylphenoxy)-2-methyl-2-(methylamino)butanoic acid is sourced from PubChem (CID 102983965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).