2-[2-(aminomethyl)-6-fluorophenoxy]-N-methylpropanamide

C11H15FN2O2 — CID 112608112

IUPAC2-[2-(aminomethyl)-6-fluorophenoxy]-N-methylpropanamide
SMILESCNC(=O)C(C)Oc1c(F)cccc1CN
InChIInChI=1S/C11H15FN2O2/c1-7(11(15)14-2)16-10-8(6-13)4-3-5-9(10)12/h3-5,7H,6,13H2,1-2H3,(H,14,15)
InChIKeyARPSMXCDWINREZ-UHFFFAOYSA-N
MW226.25 g/mol
LogP0.80
Rot. Bonds4

About 2-[2-(aminomethyl)-6-fluorophenoxy]-N-methylpropanamide

2-[2-(aminomethyl)-6-fluorophenoxy]-N-methylpropanamide (PubChem CID 112608112) has the molecular formula C11H15FN2O2 and a molecular weight of 226.25 g/mol. Its IUPAC name is 2-[2-(aminomethyl)-6-fluorophenoxy]-N-methylpropanamide.

Molecular Properties

Compound Name2-[2-(aminomethyl)-6-fluorophenoxy]-N-methylpropanamide
PubChem CID112608112
Molecular FormulaC11H15FN2O2
Molecular Weight226.25 g/mol
Exact Mass226.11
IUPAC Name2-[2-(aminomethyl)-6-fluorophenoxy]-N-methylpropanamide
SMILESCNC(=O)C(C)Oc1c(F)cccc1CN
InChIInChI=1S/C11H15FN2O2/c1-7(11(15)14-2)16-10-8(6-13)4-3-5-9(10)12/h3-5,7H,6,13H2,1-2H3,(H,14,15)
InChIKeyARPSMXCDWINREZ-UHFFFAOYSA-N
XLogP0.80
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.25
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-amino-6-fluorophenoxy)-N-methylpropanamide
CID 104831459
2-[2-(2-aminopropyl)-6-fluorophenoxy]-N-ethylpropanamide
CID 112615920
(E)-3-[3-fluoro-2-[1-(methylamino)-1-oxopropan-2-yl]oxyphenyl]prop-2-enoic acid
CID 112614255
2-[2-(2-aminoethyl)-6-ethoxyphenoxy]-N-methylpropanamide
CID 54930374
2-[4-(2-aminopropyl)-2,6-difluorophenoxy]-N-methylpropanamide
CID 79887608
ethyl 2-[2-fluoro-6-(hydroxymethyl)phenoxy]propanoate
CID 112613216
2-[2-fluoro-6-(hydroxymethyl)phenoxy]-N-(3-methylbutyl)propanamide
CID 115956348
2-[2-(aminomethyl)-6-fluorophenoxy]acetamide
CID 112608115
2-[2-(aminomethyl)-6-chlorophenoxy]-N-phenylpropanamide
CID 115951957
2-[2-(aminomethyl)-6-methylphenoxy]-N-(2-methylpropyl)propanamide
CID 112607249
2-[2-(aminomethyl)-6-fluorophenoxy]-N-(4-methylphenyl)acetamide
CID 115952056
2-[2-(2-aminobutyl)-6-fluorophenoxy]propanoic acid
CID 112616003

Frequently Asked Questions

What is the IUPAC name of 2-[2-(aminomethyl)-6-fluorophenoxy]-N-methylpropanamide?
The IUPAC name of 2-[2-(aminomethyl)-6-fluorophenoxy]-N-methylpropanamide (CID 112608112) is 2-[2-(aminomethyl)-6-fluorophenoxy]-N-methylpropanamide.
What is the SMILES notation for 2-[2-(aminomethyl)-6-fluorophenoxy]-N-methylpropanamide?
The canonical SMILES for 2-[2-(aminomethyl)-6-fluorophenoxy]-N-methylpropanamide is CNC(=O)C(C)Oc1c(F)cccc1CN.
What is the InChIKey of 2-[2-(aminomethyl)-6-fluorophenoxy]-N-methylpropanamide?
The InChIKey is ARPSMXCDWINREZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FN2O2/c1-7(11(15)14-2)16-10-8(6-13)4-3-5-9(10)12/h3-5,7H,6,13H2,1-2H3,(H,14,15).
What are the key properties of 2-[2-(aminomethyl)-6-fluorophenoxy]-N-methylpropanamide?
2-[2-(aminomethyl)-6-fluorophenoxy]-N-methylpropanamide has a molecular weight of 226.25 g/mol, XLogP of 0.80, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(aminomethyl)-6-fluorophenoxy]-N-methylpropanamide is sourced from PubChem (CID 112608112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).