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

C12H17FN2O3 — CID 112608108

IUPAC2-[2-(aminomethyl)-6-fluorophenoxy]-N-(2-methoxyethyl)acetamide
SMILESCOCCNC(=O)COc1c(F)cccc1CN
InChIInChI=1S/C12H17FN2O3/c1-17-6-5-15-11(16)8-18-12-9(7-14)3-2-4-10(12)13/h2-4H,5-8,14H2,1H3,(H,15,16)
InChIKeyQHWFUDLVTZIQBB-UHFFFAOYSA-N
MW256.28 g/mol
LogP0.43
Rot. Bonds7

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

2-[2-(aminomethyl)-6-fluorophenoxy]-N-(2-methoxyethyl)acetamide (PubChem CID 112608108) has the molecular formula C12H17FN2O3 and a molecular weight of 256.28 g/mol. Its IUPAC name is 2-[2-(aminomethyl)-6-fluorophenoxy]-N-(2-methoxyethyl)acetamide.

Molecular Properties

Compound Name2-[2-(aminomethyl)-6-fluorophenoxy]-N-(2-methoxyethyl)acetamide
PubChem CID112608108
Molecular FormulaC12H17FN2O3
Molecular Weight256.28 g/mol
Exact Mass256.12
IUPAC Name2-[2-(aminomethyl)-6-fluorophenoxy]-N-(2-methoxyethyl)acetamide
SMILESCOCCNC(=O)COc1c(F)cccc1CN
InChIInChI=1S/C12H17FN2O3/c1-17-6-5-15-11(16)8-18-12-9(7-14)3-2-4-10(12)13/h2-4H,5-8,14H2,1H3,(H,15,16)
InChIKeyQHWFUDLVTZIQBB-UHFFFAOYSA-N
XLogP0.43
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.28
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(aminomethyl)-6-fluorophenoxy]-N-(cyanomethyl)acetamide
CID 112607908
2-[2-(aminomethyl)phenoxy]-N-(2-methoxyethyl)acetamide
CID 16788914
N-(cyanomethyl)-2-[2-fluoro-6-[(2-methoxyethylamino)methyl]phenoxy]acetamide
CID 115955367
2-[2-fluoro-6-[(2-methoxyethylamino)methyl]phenoxy]-N-methylacetamide
CID 112610886
2-[2-(2-aminoethyl)-6-fluorophenoxy]-N-(3-methylbutyl)acetamide
CID 115957884
2-[2-(aminomethyl)-6-fluorophenoxy]acetamide
CID 112608115
2-[2-(aminomethyl)-6-fluorophenoxy]-N-(4-methylphenyl)acetamide
CID 115952056
2-[2-(2-aminoethyl)-6-fluorophenoxy]-N-(1-methoxypropan-2-yl)acetamide
CID 115957905
2-[2-(aminomethyl)-6-fluorophenoxy]-N-(4-bromophenyl)acetamide
CID 115952038
ethyl 2-[2-fluoro-6-[(2-methoxyethylamino)methyl]phenoxy]acetate
CID 115955408
N-(2-cyanoethyl)-2-[2-fluoro-6-(methylaminomethyl)phenoxy]acetamide
CID 112608784
2-[4-(2-aminoethyl)-2,6-dimethylphenoxy]-N-(2-methoxyethyl)acetamide
CID 61485623

Frequently Asked Questions

What is the IUPAC name of 2-[2-(aminomethyl)-6-fluorophenoxy]-N-(2-methoxyethyl)acetamide?
The IUPAC name of 2-[2-(aminomethyl)-6-fluorophenoxy]-N-(2-methoxyethyl)acetamide (CID 112608108) is 2-[2-(aminomethyl)-6-fluorophenoxy]-N-(2-methoxyethyl)acetamide.
What is the SMILES notation for 2-[2-(aminomethyl)-6-fluorophenoxy]-N-(2-methoxyethyl)acetamide?
The canonical SMILES for 2-[2-(aminomethyl)-6-fluorophenoxy]-N-(2-methoxyethyl)acetamide is COCCNC(=O)COc1c(F)cccc1CN.
What is the InChIKey of 2-[2-(aminomethyl)-6-fluorophenoxy]-N-(2-methoxyethyl)acetamide?
The InChIKey is QHWFUDLVTZIQBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2O3/c1-17-6-5-15-11(16)8-18-12-9(7-14)3-2-4-10(12)13/h2-4H,5-8,14H2,1H3,(H,15,16).
What are the key properties of 2-[2-(aminomethyl)-6-fluorophenoxy]-N-(2-methoxyethyl)acetamide?
2-[2-(aminomethyl)-6-fluorophenoxy]-N-(2-methoxyethyl)acetamide has a molecular weight of 256.28 g/mol, XLogP of 0.43, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(aminomethyl)-6-fluorophenoxy]-N-(2-methoxyethyl)acetamide is sourced from PubChem (CID 112608108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).