1-(3-amino-4-fluorophenyl)-2-(2-methoxyethylamino)ethanone

C11H15FN2O2 — CID 98014554

IUPAC1-(3-amino-4-fluorophenyl)-2-(2-methoxyethylamino)ethanone
SMILESCOCCNCC(=O)c1ccc(F)c(N)c1
InChIInChI=1S/C11H15FN2O2/c1-16-5-4-14-7-11(15)8-2-3-9(12)10(13)6-8/h2-3,6,14H,4-5,7,13H2,1H3
InChIKeyIDGSNNOVTGNEAW-UHFFFAOYSA-N
MW226.25 g/mol
LogP0.83
Rot. Bonds6

About 1-(3-amino-4-fluorophenyl)-2-(2-methoxyethylamino)ethanone

1-(3-amino-4-fluorophenyl)-2-(2-methoxyethylamino)ethanone (PubChem CID 98014554) has the molecular formula C11H15FN2O2 and a molecular weight of 226.25 g/mol. Its IUPAC name is 1-(3-amino-4-fluorophenyl)-2-(2-methoxyethylamino)ethanone.

Molecular Properties

Compound Name1-(3-amino-4-fluorophenyl)-2-(2-methoxyethylamino)ethanone
PubChem CID98014554
Molecular FormulaC11H15FN2O2
Molecular Weight226.25 g/mol
Exact Mass226.11
IUPAC Name1-(3-amino-4-fluorophenyl)-2-(2-methoxyethylamino)ethanone
SMILESCOCCNCC(=O)c1ccc(F)c(N)c1
InChIInChI=1S/C11H15FN2O2/c1-16-5-4-14-7-11(15)8-2-3-9(12)10(13)6-8/h2-3,6,14H,4-5,7,13H2,1H3
InChIKeyIDGSNNOVTGNEAW-UHFFFAOYSA-N
XLogP0.83
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.25
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(3-amino-4-ethoxyphenyl)-2-(2-methoxyethylamino)ethanone
CID 82258583
2-[2-(2-methoxyethoxy)ethoxy]ethyl 3-amino-4-fluorobenzoate
CID 104563056
2-(2-methoxyethylamino)-1-[3-(trifluoromethyl)phenyl]ethanone
CID 113220833
1-(2,3-dihydro-1-benzofuran-5-yl)-2-(2-methoxyethylamino)ethanone
CID 116591564
1-(2,3-dihydro-1H-indol-5-yl)-2-(2-methoxyethylamino)ethanone
CID 82102369
methoxymethyl 3-amino-4-fluorobenzoate
CID 65364698
1-(3-amino-4-fluorophenyl)-2-anilinoethanone
CID 82478373
3-(2-methoxyethoxy)propyl 3-amino-4-fluorobenzoate
CID 103403556
4-fluoro-3-[(2-methoxyethylamino)methyl]benzamide
CID 28565646
2-(2-methoxyethylamino)-1-(1,2,3,4-tetrahydroquinolin-6-yl)ethanone
CID 82257753
methyl 4-fluoro-3-[[2-(2-methoxyethylamino)acetyl]amino]benzoate
CID 79281167
3-amino-4-fluorobenzohydrazide;hydrochloride
CID 131133629

Frequently Asked Questions

What is the IUPAC name of 1-(3-amino-4-fluorophenyl)-2-(2-methoxyethylamino)ethanone?
The IUPAC name of 1-(3-amino-4-fluorophenyl)-2-(2-methoxyethylamino)ethanone (CID 98014554) is 1-(3-amino-4-fluorophenyl)-2-(2-methoxyethylamino)ethanone.
What is the SMILES notation for 1-(3-amino-4-fluorophenyl)-2-(2-methoxyethylamino)ethanone?
The canonical SMILES for 1-(3-amino-4-fluorophenyl)-2-(2-methoxyethylamino)ethanone is COCCNCC(=O)c1ccc(F)c(N)c1.
What is the InChIKey of 1-(3-amino-4-fluorophenyl)-2-(2-methoxyethylamino)ethanone?
The InChIKey is IDGSNNOVTGNEAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FN2O2/c1-16-5-4-14-7-11(15)8-2-3-9(12)10(13)6-8/h2-3,6,14H,4-5,7,13H2,1H3.
What are the key properties of 1-(3-amino-4-fluorophenyl)-2-(2-methoxyethylamino)ethanone?
1-(3-amino-4-fluorophenyl)-2-(2-methoxyethylamino)ethanone has a molecular weight of 226.25 g/mol, XLogP of 0.83, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-amino-4-fluorophenyl)-2-(2-methoxyethylamino)ethanone is sourced from PubChem (CID 98014554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).