2-[2-(aminomethyl)-6-fluorophenoxy]acetamide

C9H11FN2O2 — CID 112608115

IUPAC2-[2-(aminomethyl)-6-fluorophenoxy]acetamide
SMILESNCc1cccc(F)c1OCC(N)=O
InChIInChI=1S/C9H11FN2O2/c10-7-3-1-2-6(4-11)9(7)14-5-8(12)13/h1-3H,4-5,11H2,(H2,12,13)
InChIKeyHETJECBXWPLPOC-UHFFFAOYSA-N
MW198.20 g/mol
LogP0.15
Rot. Bonds4

About 2-[2-(aminomethyl)-6-fluorophenoxy]acetamide

2-[2-(aminomethyl)-6-fluorophenoxy]acetamide (PubChem CID 112608115) has the molecular formula C9H11FN2O2 and a molecular weight of 198.20 g/mol. Its IUPAC name is 2-[2-(aminomethyl)-6-fluorophenoxy]acetamide.

Molecular Properties

Compound Name2-[2-(aminomethyl)-6-fluorophenoxy]acetamide
PubChem CID112608115
Molecular FormulaC9H11FN2O2
Molecular Weight198.20 g/mol
Exact Mass198.08
IUPAC Name2-[2-(aminomethyl)-6-fluorophenoxy]acetamide
SMILESNCc1cccc(F)c1OCC(N)=O
InChIInChI=1S/C9H11FN2O2/c10-7-3-1-2-6(4-11)9(7)14-5-8(12)13/h1-3H,4-5,11H2,(H2,12,13)
InChIKeyHETJECBXWPLPOC-UHFFFAOYSA-N
XLogP0.15
TPSA78.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.20
LogP ≤ 50.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(2-bromoprop-2-enoxy)-3-fluorophenyl]methanamine
CID 112608217
[3-fluoro-2-(2-methylidenebutoxy)phenyl]methanamine
CID 112608162
2-[2-(aminomethyl)-6-fluorophenoxy]-N-(cyanomethyl)acetamide
CID 112607908
2-[2-fluoro-6-[(2-methylpropylamino)methyl]phenoxy]acetamide
CID 112610813
[2-[(Z)-3-chloro-2-methylprop-2-enoxy]-3-fluorophenyl]methanamine
CID 106437085
2-[2-(aminomethyl)-6-fluorophenoxy]-N-(4-bromophenyl)acetamide
CID 115952038
2-[2-(aminomethyl)-6-fluorophenoxy]-N-(4-methylphenyl)acetamide
CID 115952056
2-[2-(aminomethyl)-6-fluorophenoxy]-N-(2-methoxyethyl)acetamide
CID 112608108
2-[2-(aminomethyl)-6-fluorophenoxy]-N-methylpropanamide
CID 112608112
[2-(2-ethylsulfonylethoxy)-3-fluorophenyl]methanamine
CID 112607984
propan-2-yl 2-[2-(2-aminoethyl)-6-fluorophenoxy]acetate
CID 112615221
2-[2-fluoro-6-(hydroxymethyl)phenoxy]-N-methylacetamide
CID 112613129

Frequently Asked Questions

What is the IUPAC name of 2-[2-(aminomethyl)-6-fluorophenoxy]acetamide?
The IUPAC name of 2-[2-(aminomethyl)-6-fluorophenoxy]acetamide (CID 112608115) is 2-[2-(aminomethyl)-6-fluorophenoxy]acetamide.
What is the SMILES notation for 2-[2-(aminomethyl)-6-fluorophenoxy]acetamide?
The canonical SMILES for 2-[2-(aminomethyl)-6-fluorophenoxy]acetamide is NCc1cccc(F)c1OCC(N)=O.
What is the InChIKey of 2-[2-(aminomethyl)-6-fluorophenoxy]acetamide?
The InChIKey is HETJECBXWPLPOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11FN2O2/c10-7-3-1-2-6(4-11)9(7)14-5-8(12)13/h1-3H,4-5,11H2,(H2,12,13).
What are the key properties of 2-[2-(aminomethyl)-6-fluorophenoxy]acetamide?
2-[2-(aminomethyl)-6-fluorophenoxy]acetamide has a molecular weight of 198.20 g/mol, XLogP of 0.15, 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]acetamide is sourced from PubChem (CID 112608115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).