4-(5-fluoro-2-methylphenoxy)-2-(methylamino)butanamide

C12H17FN2O2 — CID 102983847

IUPAC4-(5-fluoro-2-methylphenoxy)-2-(methylamino)butanamide
SMILESCNC(CCOc1cc(F)ccc1C)C(N)=O
InChIInChI=1S/C12H17FN2O2/c1-8-3-4-9(13)7-11(8)17-6-5-10(15-2)12(14)16/h3-4,7,10,15H,5-6H2,1-2H3,(H2,14,16)
InChIKeyBKJXBQDXUPYNDX-UHFFFAOYSA-N
MW240.28 g/mol
LogP0.98
Rot. Bonds6

About 4-(5-fluoro-2-methylphenoxy)-2-(methylamino)butanamide

4-(5-fluoro-2-methylphenoxy)-2-(methylamino)butanamide (PubChem CID 102983847) has the molecular formula C12H17FN2O2 and a molecular weight of 240.28 g/mol. Its IUPAC name is 4-(5-fluoro-2-methylphenoxy)-2-(methylamino)butanamide.

Molecular Properties

Compound Name4-(5-fluoro-2-methylphenoxy)-2-(methylamino)butanamide
PubChem CID102983847
Molecular FormulaC12H17FN2O2
Molecular Weight240.28 g/mol
Exact Mass240.13
IUPAC Name4-(5-fluoro-2-methylphenoxy)-2-(methylamino)butanamide
SMILESCNC(CCOc1cc(F)ccc1C)C(N)=O
InChIInChI=1S/C12H17FN2O2/c1-8-3-4-9(13)7-11(8)17-6-5-10(15-2)12(14)16/h3-4,7,10,15H,5-6H2,1-2H3,(H2,14,16)
InChIKeyBKJXBQDXUPYNDX-UHFFFAOYSA-N
XLogP0.98
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.28
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(methylamino)-4-(2-methyl-5-propan-2-ylphenoxy)butanamide
CID 55145298
4-(3-fluoro-4-methylphenoxy)-2-(methylamino)butanamide
CID 107170389
methyl 4-(5-fluoro-2-methylphenoxy)-2-(propylamino)butanoate
CID 102983852
methyl 4-(2,5-difluorophenoxy)-2-(methylamino)butanoate
CID 63269811
2-(methylamino)-4-(2,3,5-trimethylphenoxy)butanamide
CID 55143007
4-(2,5-difluorophenoxy)-2-(ethylamino)butanamide
CID 63269722
methyl 4-(2,4-difluorophenoxy)-2-(methylamino)butanoate
CID 63039133
4-(3,5-dimethylphenoxy)-2-(methylamino)butanamide
CID 63040857
4-(5-fluoro-2-methylphenoxy)-2-methyl-2-(methylamino)butanoic acid
CID 102983965
3-(5-fluoro-2-methylphenoxy)propanethioamide
CID 102981847
6-(5-fluoro-2-methylphenoxy)hexanehydrazide
CID 102987680
(2S)-2-amino-4-(4-fluoro-2-methylphenoxy)butanoic acid
CID 58987438

Frequently Asked Questions

What is the IUPAC name of 4-(5-fluoro-2-methylphenoxy)-2-(methylamino)butanamide?
The IUPAC name of 4-(5-fluoro-2-methylphenoxy)-2-(methylamino)butanamide (CID 102983847) is 4-(5-fluoro-2-methylphenoxy)-2-(methylamino)butanamide.
What is the SMILES notation for 4-(5-fluoro-2-methylphenoxy)-2-(methylamino)butanamide?
The canonical SMILES for 4-(5-fluoro-2-methylphenoxy)-2-(methylamino)butanamide is CNC(CCOc1cc(F)ccc1C)C(N)=O.
What is the InChIKey of 4-(5-fluoro-2-methylphenoxy)-2-(methylamino)butanamide?
The InChIKey is BKJXBQDXUPYNDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2O2/c1-8-3-4-9(13)7-11(8)17-6-5-10(15-2)12(14)16/h3-4,7,10,15H,5-6H2,1-2H3,(H2,14,16).
What are the key properties of 4-(5-fluoro-2-methylphenoxy)-2-(methylamino)butanamide?
4-(5-fluoro-2-methylphenoxy)-2-(methylamino)butanamide has a molecular weight of 240.28 g/mol, XLogP of 0.98, 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-(methylamino)butanamide is sourced from PubChem (CID 102983847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).