4-(3-fluoro-4-methylphenoxy)-2-(methylamino)butanamide

C12H17FN2O2 — CID 107170389

IUPAC4-(3-fluoro-4-methylphenoxy)-2-(methylamino)butanamide
SMILESCNC(CCOc1ccc(C)c(F)c1)C(N)=O
InChIInChI=1S/C12H17FN2O2/c1-8-3-4-9(7-10(8)13)17-6-5-11(15-2)12(14)16/h3-4,7,11,15H,5-6H2,1-2H3,(H2,14,16)
InChIKeyCKBFVMLSKOAWQS-UHFFFAOYSA-N
MW240.28 g/mol
LogP0.98
Rot. Bonds6

About 4-(3-fluoro-4-methylphenoxy)-2-(methylamino)butanamide

4-(3-fluoro-4-methylphenoxy)-2-(methylamino)butanamide (PubChem CID 107170389) has the molecular formula C12H17FN2O2 and a molecular weight of 240.28 g/mol. Its IUPAC name is 4-(3-fluoro-4-methylphenoxy)-2-(methylamino)butanamide.

Molecular Properties

Compound Name4-(3-fluoro-4-methylphenoxy)-2-(methylamino)butanamide
PubChem CID107170389
Molecular FormulaC12H17FN2O2
Molecular Weight240.28 g/mol
Exact Mass240.13
IUPAC Name4-(3-fluoro-4-methylphenoxy)-2-(methylamino)butanamide
SMILESCNC(CCOc1ccc(C)c(F)c1)C(N)=O
InChIInChI=1S/C12H17FN2O2/c1-8-3-4-9(7-10(8)13)17-6-5-11(15-2)12(14)16/h3-4,7,11,15H,5-6H2,1-2H3,(H2,14,16)
InChIKeyCKBFVMLSKOAWQS-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

ethyl 4-(3,4-difluorophenoxy)-2-(methylamino)butanoate
CID 63035662
4-(5-fluoro-2-methylphenoxy)-2-(methylamino)butanamide
CID 102983847
4-(3,5-dimethylphenoxy)-2-(methylamino)butanamide
CID 63040857
ethyl 4-(3-fluoro-4-methylphenoxy)-2-(propan-2-ylamino)butanoate
CID 107170470
2-(methylamino)-4-(2-methyl-5-propan-2-ylphenoxy)butanamide
CID 55145298
3-(3-fluoro-4-methylphenoxy)propanoic acid
CID 107168344
4-[3-(methoxymethyl)phenoxy]-2-(methylamino)butanamide
CID 63984622
2-(cyclopropylamino)-4-(3,4-difluorophenoxy)butanamide
CID 63035661
2-(methylamino)-4-(3-methyl-4-propan-2-ylphenoxy)butanoic acid
CID 63040113
2-fluoro-1-methyl-4-(4-methylpentoxy)benzene
CID 107171422
4-(3-fluorophenoxy)-2-(methylamino)butanoic acid
CID 63040093
2-(methylamino)-4-(2,3,5-trimethylphenoxy)butanamide
CID 55143007

Frequently Asked Questions

What is the IUPAC name of 4-(3-fluoro-4-methylphenoxy)-2-(methylamino)butanamide?
The IUPAC name of 4-(3-fluoro-4-methylphenoxy)-2-(methylamino)butanamide (CID 107170389) is 4-(3-fluoro-4-methylphenoxy)-2-(methylamino)butanamide.
What is the SMILES notation for 4-(3-fluoro-4-methylphenoxy)-2-(methylamino)butanamide?
The canonical SMILES for 4-(3-fluoro-4-methylphenoxy)-2-(methylamino)butanamide is CNC(CCOc1ccc(C)c(F)c1)C(N)=O.
What is the InChIKey of 4-(3-fluoro-4-methylphenoxy)-2-(methylamino)butanamide?
The InChIKey is CKBFVMLSKOAWQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2O2/c1-8-3-4-9(7-10(8)13)17-6-5-11(15-2)12(14)16/h3-4,7,11,15H,5-6H2,1-2H3,(H2,14,16).
What are the key properties of 4-(3-fluoro-4-methylphenoxy)-2-(methylamino)butanamide?
4-(3-fluoro-4-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-(3-fluoro-4-methylphenoxy)-2-(methylamino)butanamide is sourced from PubChem (CID 107170389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).