6-(2-fluoro-3-methylphenoxy)-2-methyl-2-(methylamino)hexanamide

C15H23FN2O2 — CID 107660513

IUPAC6-(2-fluoro-3-methylphenoxy)-2-methyl-2-(methylamino)hexanamide
SMILESCNC(C)(CCCCOc1cccc(C)c1F)C(N)=O
InChIInChI=1S/C15H23FN2O2/c1-11-7-6-8-12(13(11)16)20-10-5-4-9-15(2,18-3)14(17)19/h6-8,18H,4-5,9-10H2,1-3H3,(H2,17,19)
InChIKeyLGZFBWAFGPYDER-UHFFFAOYSA-N
MW282.36 g/mol
LogP2.15
Rot. Bonds8

About 6-(2-fluoro-3-methylphenoxy)-2-methyl-2-(methylamino)hexanamide

6-(2-fluoro-3-methylphenoxy)-2-methyl-2-(methylamino)hexanamide (PubChem CID 107660513) has the molecular formula C15H23FN2O2 and a molecular weight of 282.36 g/mol. Its IUPAC name is 6-(2-fluoro-3-methylphenoxy)-2-methyl-2-(methylamino)hexanamide.

Molecular Properties

Compound Name6-(2-fluoro-3-methylphenoxy)-2-methyl-2-(methylamino)hexanamide
PubChem CID107660513
Molecular FormulaC15H23FN2O2
Molecular Weight282.36 g/mol
Exact Mass282.17
IUPAC Name6-(2-fluoro-3-methylphenoxy)-2-methyl-2-(methylamino)hexanamide
SMILESCNC(C)(CCCCOc1cccc(C)c1F)C(N)=O
InChIInChI=1S/C15H23FN2O2/c1-11-7-6-8-12(13(11)16)20-10-5-4-9-15(2,18-3)14(17)19/h6-8,18H,4-5,9-10H2,1-3H3,(H2,17,19)
InChIKeyLGZFBWAFGPYDER-UHFFFAOYSA-N
XLogP2.15
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.36
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

ethyl 5-(2,3-difluorophenoxy)-2-methyl-2-(methylamino)pentanoate
CID 63038197
methyl 4-(2-fluoro-3-methylphenoxy)butanoate
CID 103988294
6-(2-fluoro-3-methylphenoxy)hexanoic acid
CID 107655017
2-fluoro-1-methyl-3-(4,4,4-trifluorobutoxy)benzene
CID 107661943
methyl 6-(2,6-difluorophenoxy)-2-methyl-2-(methylamino)hexanoate
CID 81265264
5-(5-fluoro-2-methylphenoxy)-2-methyl-2-(propylamino)pentanamide
CID 102983576
2-fluoro-1-hexoxy-3-methylbenzene
CID 107662011
methyl 2-amino-4-(2-fluoro-3-methylphenoxy)butanoate
CID 107660515
2-amino-3-(2-fluoro-3-methylphenoxy)-2-methylpropanoic acid
CID 107660407
methyl 2-amino-3-(2-fluoro-3-methylphenoxy)propanoate
CID 107660467
5-(2-fluoro-3-methylphenoxy)-2,2-dimethylpentanenitrile
CID 103988316
ethyl 4-(2-fluoro-3-methylphenoxy)-2-methyl-2-(methylamino)pentanoate
CID 107660538

Frequently Asked Questions

What is the IUPAC name of 6-(2-fluoro-3-methylphenoxy)-2-methyl-2-(methylamino)hexanamide?
The IUPAC name of 6-(2-fluoro-3-methylphenoxy)-2-methyl-2-(methylamino)hexanamide (CID 107660513) is 6-(2-fluoro-3-methylphenoxy)-2-methyl-2-(methylamino)hexanamide.
What is the SMILES notation for 6-(2-fluoro-3-methylphenoxy)-2-methyl-2-(methylamino)hexanamide?
The canonical SMILES for 6-(2-fluoro-3-methylphenoxy)-2-methyl-2-(methylamino)hexanamide is CNC(C)(CCCCOc1cccc(C)c1F)C(N)=O.
What is the InChIKey of 6-(2-fluoro-3-methylphenoxy)-2-methyl-2-(methylamino)hexanamide?
The InChIKey is LGZFBWAFGPYDER-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2O2/c1-11-7-6-8-12(13(11)16)20-10-5-4-9-15(2,18-3)14(17)19/h6-8,18H,4-5,9-10H2,1-3H3,(H2,17,19).
What are the key properties of 6-(2-fluoro-3-methylphenoxy)-2-methyl-2-(methylamino)hexanamide?
6-(2-fluoro-3-methylphenoxy)-2-methyl-2-(methylamino)hexanamide has a molecular weight of 282.36 g/mol, XLogP of 2.15, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-fluoro-3-methylphenoxy)-2-methyl-2-(methylamino)hexanamide is sourced from PubChem (CID 107660513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).