1-[4-[2-ethoxyethyl(ethyl)amino]-3-fluorophenyl]ethanone

C14H20FNO2 — CID 63697407

IUPAC1-[4-[2-ethoxyethyl(ethyl)amino]-3-fluorophenyl]ethanone
SMILESCCOCCN(CC)c1ccc(C(C)=O)cc1F
InChIInChI=1S/C14H20FNO2/c1-4-16(8-9-18-5-2)14-7-6-12(11(3)17)10-13(14)15/h6-7,10H,4-5,8-9H2,1-3H3
InChIKeyDXZMTFPPNSAERJ-UHFFFAOYSA-N
MW253.32 g/mol
LogP2.89
Rot. Bonds7

About 1-[4-[2-ethoxyethyl(ethyl)amino]-3-fluorophenyl]ethanone

1-[4-[2-ethoxyethyl(ethyl)amino]-3-fluorophenyl]ethanone (PubChem CID 63697407) has the molecular formula C14H20FNO2 and a molecular weight of 253.32 g/mol. Its IUPAC name is 1-[4-[2-ethoxyethyl(ethyl)amino]-3-fluorophenyl]ethanone.

Molecular Properties

Compound Name1-[4-[2-ethoxyethyl(ethyl)amino]-3-fluorophenyl]ethanone
PubChem CID63697407
Molecular FormulaC14H20FNO2
Molecular Weight253.32 g/mol
Exact Mass253.15
IUPAC Name1-[4-[2-ethoxyethyl(ethyl)amino]-3-fluorophenyl]ethanone
SMILESCCOCCN(CC)c1ccc(C(C)=O)cc1F
InChIInChI=1S/C14H20FNO2/c1-4-16(8-9-18-5-2)14-7-6-12(11(3)17)10-13(14)15/h6-7,10H,4-5,8-9H2,1-3H3
InChIKeyDXZMTFPPNSAERJ-UHFFFAOYSA-N
XLogP2.89
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.32
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-[4-[2-ethoxyethyl(ethyl)amino]-3-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

4-[2-ethoxyethyl(ethyl)amino]-3-fluoro-N'-hydroxybenzenecarboximidamide
CID 77017437
4-[2-ethoxyethyl(ethyl)amino]-3-fluorobenzenecarboximidamide
CID 55227881
1-[4-[bis(2-ethoxyethyl)amino]-3-chlorophenyl]ethanone
CID 82938130
1-[4-[ethyl-(2-hydroxy-2-methylpropyl)amino]-3-fluorophenyl]ethanone
CID 79387843
methyl 3-[4-acetyl-2-fluoro-N-(2-methoxyethyl)anilino]propanoate
CID 115538096
4-[2-ethoxyethyl(ethyl)amino]-2,3-difluorobenzoic acid
CID 114017930
1-[3-bromo-4-[ethyl(2-methoxyethyl)amino]phenyl]ethanone
CID 62908123
1-[4-[butyl(2-hydroxyethyl)amino]-3-fluorophenyl]ethanone
CID 61446469
1-[4-[bis(2-methylpropyl)amino]-3-fluorophenyl]ethanone
CID 63532802
1-[2-[2-ethoxyethyl(ethyl)amino]-3-fluorophenyl]ethanone
CID 114058464
1-[2-[bis(2-ethoxyethyl)amino]-4-pyridinyl]ethanone
CID 82950852
N-(2-ethoxyethyl)-N-ethyl-2-fluoro-4-[(2-methoxyethylamino)methyl]aniline
CID 63691377

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-ethoxyethyl(ethyl)amino]-3-fluorophenyl]ethanone?
The IUPAC name of 1-[4-[2-ethoxyethyl(ethyl)amino]-3-fluorophenyl]ethanone (CID 63697407) is 1-[4-[2-ethoxyethyl(ethyl)amino]-3-fluorophenyl]ethanone.
What is the SMILES notation for 1-[4-[2-ethoxyethyl(ethyl)amino]-3-fluorophenyl]ethanone?
The canonical SMILES for 1-[4-[2-ethoxyethyl(ethyl)amino]-3-fluorophenyl]ethanone is CCOCCN(CC)c1ccc(C(C)=O)cc1F.
What is the InChIKey of 1-[4-[2-ethoxyethyl(ethyl)amino]-3-fluorophenyl]ethanone?
The InChIKey is DXZMTFPPNSAERJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO2/c1-4-16(8-9-18-5-2)14-7-6-12(11(3)17)10-13(14)15/h6-7,10H,4-5,8-9H2,1-3H3.
What are the key properties of 1-[4-[2-ethoxyethyl(ethyl)amino]-3-fluorophenyl]ethanone?
1-[4-[2-ethoxyethyl(ethyl)amino]-3-fluorophenyl]ethanone has a molecular weight of 253.32 g/mol, XLogP of 2.89, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-ethoxyethyl(ethyl)amino]-3-fluorophenyl]ethanone is sourced from PubChem (CID 63697407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).