2-[2-ethoxyethyl(methyl)amino]-1-(4-fluorophenyl)ethanone

C13H18FNO2 — CID 81056894

IUPAC2-[2-ethoxyethyl(methyl)amino]-1-(4-fluorophenyl)ethanone
SMILESCCOCCN(C)CC(=O)c1ccc(F)cc1
InChIInChI=1S/C13H18FNO2/c1-3-17-9-8-15(2)10-13(16)11-4-6-12(14)7-5-11/h4-7H,3,8-10H2,1-2H3
InChIKeyGIRKSORDFFJPIS-UHFFFAOYSA-N
MW239.29 g/mol
LogP1.98
Rot. Bonds7

About 2-[2-ethoxyethyl(methyl)amino]-1-(4-fluorophenyl)ethanone

2-[2-ethoxyethyl(methyl)amino]-1-(4-fluorophenyl)ethanone (PubChem CID 81056894) has the molecular formula C13H18FNO2 and a molecular weight of 239.29 g/mol. Its IUPAC name is 2-[2-ethoxyethyl(methyl)amino]-1-(4-fluorophenyl)ethanone.

Molecular Properties

Compound Name2-[2-ethoxyethyl(methyl)amino]-1-(4-fluorophenyl)ethanone
PubChem CID81056894
Molecular FormulaC13H18FNO2
Molecular Weight239.29 g/mol
Exact Mass239.13
IUPAC Name2-[2-ethoxyethyl(methyl)amino]-1-(4-fluorophenyl)ethanone
SMILESCCOCCN(C)CC(=O)c1ccc(F)cc1
InChIInChI=1S/C13H18FNO2/c1-3-17-9-8-15(2)10-13(16)11-4-6-12(14)7-5-11/h4-7H,3,8-10H2,1-2H3
InChIKeyGIRKSORDFFJPIS-UHFFFAOYSA-N
XLogP1.98
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.29
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[2-ethoxyethyl(methyl)amino]-1-(4-fluorophenyl)propan-1-one
CID 81058005
1-[2-ethoxyethyl(methyl)amino]-3-(4-fluorophenyl)propan-2-one
CID 81058187
1-(4-fluorophenyl)-2-[methyl(2-methylsulfonylethyl)amino]ethanone
CID 79850839
2-[2-ethoxyethyl(methyl)amino]-1-(2-methoxyphenyl)ethanone
CID 81058182
5-ethoxy-1-(4-fluorophenyl)pentane-1,3-dione
CID 43138983
2-[(4-fluorophenyl)methyl-methylamino]-1-(4-methoxyphenyl)ethanone
CID 60650628
1-(4-fluorophenyl)-2-[methyl(2,2,2-trifluoroethyl)amino]ethanone
CID 60891207
1-(2-bromophenyl)-2-[2-ethoxyethyl(methyl)amino]ethanone
CID 81057820
1-(4-fluorophenyl)-3-[(4-fluorophenyl)methyl-methylamino]propan-1-one
CID 60649629
1-(4-fluorophenyl)-4-[2-methoxyethyl(methyl)amino]butan-1-one
CID 61427319
2-[cyclopropylmethyl(methyl)amino]-1-(4-fluorophenyl)ethanone
CID 60984494
2-[2-(4-fluorophenoxy)ethyl-methylamino]-N,N-dimethylacetamide
CID 51073531

Frequently Asked Questions

What is the IUPAC name of 2-[2-ethoxyethyl(methyl)amino]-1-(4-fluorophenyl)ethanone?
The IUPAC name of 2-[2-ethoxyethyl(methyl)amino]-1-(4-fluorophenyl)ethanone (CID 81056894) is 2-[2-ethoxyethyl(methyl)amino]-1-(4-fluorophenyl)ethanone.
What is the SMILES notation for 2-[2-ethoxyethyl(methyl)amino]-1-(4-fluorophenyl)ethanone?
The canonical SMILES for 2-[2-ethoxyethyl(methyl)amino]-1-(4-fluorophenyl)ethanone is CCOCCN(C)CC(=O)c1ccc(F)cc1.
What is the InChIKey of 2-[2-ethoxyethyl(methyl)amino]-1-(4-fluorophenyl)ethanone?
The InChIKey is GIRKSORDFFJPIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNO2/c1-3-17-9-8-15(2)10-13(16)11-4-6-12(14)7-5-11/h4-7H,3,8-10H2,1-2H3.
What are the key properties of 2-[2-ethoxyethyl(methyl)amino]-1-(4-fluorophenyl)ethanone?
2-[2-ethoxyethyl(methyl)amino]-1-(4-fluorophenyl)ethanone has a molecular weight of 239.29 g/mol, XLogP of 1.98, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-ethoxyethyl(methyl)amino]-1-(4-fluorophenyl)ethanone is sourced from PubChem (CID 81056894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).