2-[2-ethoxyethyl(ethyl)amino]-1-(2-fluorophenyl)ethanone

C14H20FNO2 — CID 63696521

IUPAC2-[2-ethoxyethyl(ethyl)amino]-1-(2-fluorophenyl)ethanone
SMILESCCOCCN(CC)CC(=O)c1ccccc1F
InChIInChI=1S/C14H20FNO2/c1-3-16(9-10-18-4-2)11-14(17)12-7-5-6-8-13(12)15/h5-8H,3-4,9-11H2,1-2H3
InChIKeyJBGFLLOTJZPCCN-UHFFFAOYSA-N
MW253.32 g/mol
LogP2.37
Rot. Bonds8

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

2-[2-ethoxyethyl(ethyl)amino]-1-(2-fluorophenyl)ethanone (PubChem CID 63696521) has the molecular formula C14H20FNO2 and a molecular weight of 253.32 g/mol. Its IUPAC name is 2-[2-ethoxyethyl(ethyl)amino]-1-(2-fluorophenyl)ethanone.

Molecular Properties

Compound Name2-[2-ethoxyethyl(ethyl)amino]-1-(2-fluorophenyl)ethanone
PubChem CID63696521
Molecular FormulaC14H20FNO2
Molecular Weight253.32 g/mol
Exact Mass253.15
IUPAC Name2-[2-ethoxyethyl(ethyl)amino]-1-(2-fluorophenyl)ethanone
SMILESCCOCCN(CC)CC(=O)c1ccccc1F
InChIInChI=1S/C14H20FNO2/c1-3-16(9-10-18-4-2)11-14(17)12-7-5-6-8-13(12)15/h5-8H,3-4,9-11H2,1-2H3
InChIKeyJBGFLLOTJZPCCN-UHFFFAOYSA-N
XLogP2.37
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.32
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[2-ethoxyethyl(ethyl)amino]-1-(2-fluorophenyl)ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2,6-difluorophenyl)-2-[2-ethoxyethyl(ethyl)amino]ethanone
CID 63698278
1-(2,4-difluorophenyl)-2-[2-ethoxyethyl(ethyl)amino]ethanone
CID 63696697
2-[3-(diethylamino)propyl-ethylamino]-1-(2-fluorophenyl)ethanone
CID 102995129
3-[ethyl-[2-(2-fluorophenyl)-2-oxoethyl]amino]propanenitrile
CID 62035714
2-[ethyl-[2-(2-fluorophenyl)-2-oxoethyl]amino]acetamide
CID 103103098
2-[2-ethoxyethyl(ethyl)amino]-1-(2,4,6-trimethylphenyl)ethanone
CID 63696690
3-[butyl(ethyl)amino]-1-(2-fluorophenyl)propan-1-one
CID 62618359
2-[benzyl(2-hydroxyethyl)amino]-1-(2-fluorophenyl)ethanone
CID 62114429
1-[2-[2-ethoxyethyl(ethyl)amino]-3-fluorophenyl]ethanone
CID 114058464
3-[benzyl(ethyl)amino]-1-(2-fluorophenyl)propan-1-one
CID 62618687
1-(2,6-difluorophenyl)-2-[2-ethoxyethyl(ethyl)amino]ethanol
CID 111108552
1-(2-bromophenyl)-2-[2-ethoxyethyl(methyl)amino]ethanone
CID 81057820

Frequently Asked Questions

What is the IUPAC name of 2-[2-ethoxyethyl(ethyl)amino]-1-(2-fluorophenyl)ethanone?
The IUPAC name of 2-[2-ethoxyethyl(ethyl)amino]-1-(2-fluorophenyl)ethanone (CID 63696521) is 2-[2-ethoxyethyl(ethyl)amino]-1-(2-fluorophenyl)ethanone.
What is the SMILES notation for 2-[2-ethoxyethyl(ethyl)amino]-1-(2-fluorophenyl)ethanone?
The canonical SMILES for 2-[2-ethoxyethyl(ethyl)amino]-1-(2-fluorophenyl)ethanone is CCOCCN(CC)CC(=O)c1ccccc1F.
What is the InChIKey of 2-[2-ethoxyethyl(ethyl)amino]-1-(2-fluorophenyl)ethanone?
The InChIKey is JBGFLLOTJZPCCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO2/c1-3-16(9-10-18-4-2)11-14(17)12-7-5-6-8-13(12)15/h5-8H,3-4,9-11H2,1-2H3.
What are the key properties of 2-[2-ethoxyethyl(ethyl)amino]-1-(2-fluorophenyl)ethanone?
2-[2-ethoxyethyl(ethyl)amino]-1-(2-fluorophenyl)ethanone has a molecular weight of 253.32 g/mol, XLogP of 2.37, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-ethoxyethyl(ethyl)amino]-1-(2-fluorophenyl)ethanone is sourced from PubChem (CID 63696521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).