2-[2-(1-aminoethyl)-5-fluorophenoxy]-N-(2-methoxyethyl)acetamide

C13H19FN2O3 — CID 63066535

IUPAC2-[2-(1-aminoethyl)-5-fluorophenoxy]-N-(2-methoxyethyl)acetamide
SMILESCOCCNC(=O)COc1cc(F)ccc1C(C)N
InChIInChI=1S/C13H19FN2O3/c1-9(15)11-4-3-10(14)7-12(11)19-8-13(17)16-5-6-18-2/h3-4,7,9H,5-6,8,15H2,1-2H3,(H,16,17)
InChIKeyKFBKZMOHMGMYRR-UHFFFAOYSA-N
MW270.30 g/mol
LogP0.99
Rot. Bonds7

About 2-[2-(1-aminoethyl)-5-fluorophenoxy]-N-(2-methoxyethyl)acetamide

2-[2-(1-aminoethyl)-5-fluorophenoxy]-N-(2-methoxyethyl)acetamide (PubChem CID 63066535) has the molecular formula C13H19FN2O3 and a molecular weight of 270.30 g/mol. Its IUPAC name is 2-[2-(1-aminoethyl)-5-fluorophenoxy]-N-(2-methoxyethyl)acetamide.

Molecular Properties

Compound Name2-[2-(1-aminoethyl)-5-fluorophenoxy]-N-(2-methoxyethyl)acetamide
PubChem CID63066535
Molecular FormulaC13H19FN2O3
Molecular Weight270.30 g/mol
Exact Mass270.14
IUPAC Name2-[2-(1-aminoethyl)-5-fluorophenoxy]-N-(2-methoxyethyl)acetamide
SMILESCOCCNC(=O)COc1cc(F)ccc1C(C)N
InChIInChI=1S/C13H19FN2O3/c1-9(15)11-4-3-10(14)7-12(11)19-8-13(17)16-5-6-18-2/h3-4,7,9H,5-6,8,15H2,1-2H3,(H,16,17)
InChIKeyKFBKZMOHMGMYRR-UHFFFAOYSA-N
XLogP0.99
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.30
LogP ≤ 50.99
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-[(1R)-1-aminoethyl]-5-fluorophenoxy]-N-(2-methylpropyl)acetamide
CID 63368195
2-[2-[(1R)-1-aminoethyl]-5-fluorophenoxy]-N-(cyanomethyl)acetamide
CID 78935744
2-[5-fluoro-2-[(1S)-1-hydroxyethyl]phenoxy]-N-(3-methoxypropyl)acetamide
CID 63366214
2-[2-[(1S)-1-aminoethyl]-5-fluorophenoxy]-N-methylacetamide
CID 78936103
2-[2-[(1R)-1-aminoethyl]-5-fluorophenoxy]-N-(2,2,2-trifluoroethyl)acetamide
CID 78935841
2-[2-[(1R)-1-aminoethyl]-4-methylphenoxy]-N-(2-methoxyethyl)acetamide
CID 78936347
2-[2-(1-aminoethyl)-5-fluorophenoxy]-N-(3-methylbutan-2-yl)acetamide
CID 63064235
2-[2-(1-aminoethyl)-5-methoxyphenoxy]-N-(3-methoxypropyl)acetamide
CID 82000191
2-[2-(1-aminoethyl)-5-fluorophenoxy]acetamide
CID 63066360
2-[2-[(1S)-1-aminoethyl]-5-fluorophenoxy]-N-pentan-2-ylacetamide
CID 78935876
1-[4-fluoro-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]ethanamine
CID 104560887
2-[2-(1-aminoethyl)-5-fluorophenoxy]-N-(2-methylbutan-2-yl)acetamide
CID 63066536

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1-aminoethyl)-5-fluorophenoxy]-N-(2-methoxyethyl)acetamide?
The IUPAC name of 2-[2-(1-aminoethyl)-5-fluorophenoxy]-N-(2-methoxyethyl)acetamide (CID 63066535) is 2-[2-(1-aminoethyl)-5-fluorophenoxy]-N-(2-methoxyethyl)acetamide.
What is the SMILES notation for 2-[2-(1-aminoethyl)-5-fluorophenoxy]-N-(2-methoxyethyl)acetamide?
The canonical SMILES for 2-[2-(1-aminoethyl)-5-fluorophenoxy]-N-(2-methoxyethyl)acetamide is COCCNC(=O)COc1cc(F)ccc1C(C)N.
What is the InChIKey of 2-[2-(1-aminoethyl)-5-fluorophenoxy]-N-(2-methoxyethyl)acetamide?
The InChIKey is KFBKZMOHMGMYRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2O3/c1-9(15)11-4-3-10(14)7-12(11)19-8-13(17)16-5-6-18-2/h3-4,7,9H,5-6,8,15H2,1-2H3,(H,16,17).
What are the key properties of 2-[2-(1-aminoethyl)-5-fluorophenoxy]-N-(2-methoxyethyl)acetamide?
2-[2-(1-aminoethyl)-5-fluorophenoxy]-N-(2-methoxyethyl)acetamide has a molecular weight of 270.30 g/mol, XLogP of 0.99, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1-aminoethyl)-5-fluorophenoxy]-N-(2-methoxyethyl)acetamide is sourced from PubChem (CID 63066535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).