2-[2-fluoro-6-[(2-methylpropylamino)methyl]phenoxy]acetamide

C13H19FN2O2 — CID 112610813

IUPAC2-[2-fluoro-6-[(2-methylpropylamino)methyl]phenoxy]acetamide
SMILESCC(C)CNCc1cccc(F)c1OCC(N)=O
InChIInChI=1S/C13H19FN2O2/c1-9(2)6-16-7-10-4-3-5-11(14)13(10)18-8-12(15)17/h3-5,9,16H,6-8H2,1-2H3,(H2,15,17)
InChIKeyLYXWCMRRBGDCBK-UHFFFAOYSA-N
MW254.30 g/mol
LogP1.44
Rot. Bonds7

About 2-[2-fluoro-6-[(2-methylpropylamino)methyl]phenoxy]acetamide

2-[2-fluoro-6-[(2-methylpropylamino)methyl]phenoxy]acetamide (PubChem CID 112610813) has the molecular formula C13H19FN2O2 and a molecular weight of 254.30 g/mol. Its IUPAC name is 2-[2-fluoro-6-[(2-methylpropylamino)methyl]phenoxy]acetamide.

Molecular Properties

Compound Name2-[2-fluoro-6-[(2-methylpropylamino)methyl]phenoxy]acetamide
PubChem CID112610813
Molecular FormulaC13H19FN2O2
Molecular Weight254.30 g/mol
Exact Mass254.14
IUPAC Name2-[2-fluoro-6-[(2-methylpropylamino)methyl]phenoxy]acetamide
SMILESCC(C)CNCc1cccc(F)c1OCC(N)=O
InChIInChI=1S/C13H19FN2O2/c1-9(2)6-16-7-10-4-3-5-11(14)13(10)18-8-12(15)17/h3-5,9,16H,6-8H2,1-2H3,(H2,15,17)
InChIKeyLYXWCMRRBGDCBK-UHFFFAOYSA-N
XLogP1.44
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.30
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-chloro-6-[(2-methylpropylamino)methyl]phenoxy]acetamide
CID 112610532
2-[2-fluoro-6-[(2-methylpropylamino)methyl]phenoxy]-N-prop-2-ynylacetamide
CID 115955257
2-[2-[(2-methylpropylamino)methyl]phenoxy]acetamide
CID 63062212
3-[2-fluoro-6-[(2-methylpropylamino)methyl]phenoxy]-N-methylpropanamide
CID 115955331
1,1,1-trifluoro-3-[2-fluoro-6-[(2-methylpropylamino)methyl]phenoxy]propan-2-ol
CID 115955288
N-[[3-fluoro-2-(3-methylbut-2-enoxy)phenyl]methyl]-2-methylpropan-1-amine
CID 112610806
3-[2-fluoro-6-[(2-methylpropylamino)methyl]phenoxy]propane-1,2-diol
CID 112610784
2-[2-(aminomethyl)-6-fluorophenoxy]acetamide
CID 112608115
N-[[2-[3-(dimethylamino)propoxy]-3-fluorophenyl]methyl]-2-methylpropan-1-amine
CID 114524923
2-[2-fluoro-6-[(propan-2-ylamino)methyl]phenoxy]-N-(2-methylpropyl)acetamide
CID 115955069
N-[[3-fluoro-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]methyl]-2-methylpropan-1-amine
CID 115955266
3-[2-(ethylaminomethyl)-6-fluorophenoxy]-2-methylpropanamide
CID 112609547

Frequently Asked Questions

What is the IUPAC name of 2-[2-fluoro-6-[(2-methylpropylamino)methyl]phenoxy]acetamide?
The IUPAC name of 2-[2-fluoro-6-[(2-methylpropylamino)methyl]phenoxy]acetamide (CID 112610813) is 2-[2-fluoro-6-[(2-methylpropylamino)methyl]phenoxy]acetamide.
What is the SMILES notation for 2-[2-fluoro-6-[(2-methylpropylamino)methyl]phenoxy]acetamide?
The canonical SMILES for 2-[2-fluoro-6-[(2-methylpropylamino)methyl]phenoxy]acetamide is CC(C)CNCc1cccc(F)c1OCC(N)=O.
What is the InChIKey of 2-[2-fluoro-6-[(2-methylpropylamino)methyl]phenoxy]acetamide?
The InChIKey is LYXWCMRRBGDCBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2O2/c1-9(2)6-16-7-10-4-3-5-11(14)13(10)18-8-12(15)17/h3-5,9,16H,6-8H2,1-2H3,(H2,15,17).
What are the key properties of 2-[2-fluoro-6-[(2-methylpropylamino)methyl]phenoxy]acetamide?
2-[2-fluoro-6-[(2-methylpropylamino)methyl]phenoxy]acetamide has a molecular weight of 254.30 g/mol, XLogP of 1.44, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-fluoro-6-[(2-methylpropylamino)methyl]phenoxy]acetamide is sourced from PubChem (CID 112610813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).