1-[2-ethoxyethyl(methyl)amino]-3-(4-fluorophenyl)propan-2-one

C14H20FNO2 — CID 81058187

IUPAC1-[2-ethoxyethyl(methyl)amino]-3-(4-fluorophenyl)propan-2-one
SMILESCCOCCN(C)CC(=O)Cc1ccc(F)cc1
InChIInChI=1S/C14H20FNO2/c1-3-18-9-8-16(2)11-14(17)10-12-4-6-13(15)7-5-12/h4-7H,3,8-11H2,1-2H3
InChIKeyOSLCOOVHXCJAFP-UHFFFAOYSA-N
MW253.32 g/mol
LogP1.91
Rot. Bonds8

About 1-[2-ethoxyethyl(methyl)amino]-3-(4-fluorophenyl)propan-2-one

1-[2-ethoxyethyl(methyl)amino]-3-(4-fluorophenyl)propan-2-one (PubChem CID 81058187) has the molecular formula C14H20FNO2 and a molecular weight of 253.32 g/mol. Its IUPAC name is 1-[2-ethoxyethyl(methyl)amino]-3-(4-fluorophenyl)propan-2-one.

Molecular Properties

Compound Name1-[2-ethoxyethyl(methyl)amino]-3-(4-fluorophenyl)propan-2-one
PubChem CID81058187
Molecular FormulaC14H20FNO2
Molecular Weight253.32 g/mol
Exact Mass253.15
IUPAC Name1-[2-ethoxyethyl(methyl)amino]-3-(4-fluorophenyl)propan-2-one
SMILESCCOCCN(C)CC(=O)Cc1ccc(F)cc1
InChIInChI=1S/C14H20FNO2/c1-3-18-9-8-16(2)11-14(17)10-12-4-6-13(15)7-5-12/h4-7H,3,8-11H2,1-2H3
InChIKeyOSLCOOVHXCJAFP-UHFFFAOYSA-N
XLogP1.91
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 ≤ 51.91
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

1-(4-fluorophenyl)-3-[2-(2-hydroxyethoxy)ethyl-methylamino]propan-2-one
CID 114243242
1-(4-fluorophenyl)-3-[2-hydroxyethyl(methyl)amino]propan-2-one
CID 62052606
2-[2-ethoxyethyl(methyl)amino]-1-(4-fluorophenyl)ethanone
CID 81056894
1-(4-fluorophenyl)-3-[methyl(2-methylsulfanylethyl)amino]propan-2-one
CID 112661956
1-(4-fluorophenyl)-3-[methyl(3-methylsulfanylpropyl)amino]propan-2-one
CID 114237478
3-[2-ethoxyethyl(methyl)amino]-1-(4-fluorophenyl)propan-1-one
CID 81058005
1-[2-ethoxyethyl(methyl)amino]butan-2-one
CID 81057911
1-(4-fluorophenyl)-3-[(2-hydroxy-2-methylpropyl)-methylamino]propan-2-one
CID 79389969
2-[ethyl-[3-(4-fluorophenyl)-2-oxopropyl]amino]-N,N-dimethylacetamide
CID 62034961
2-(4-fluorophenyl)-N-[2-(2-hydroxyethoxy)ethyl]-N-methylacetamide
CID 114243374
N-[[5-(aminomethyl)-2-fluorophenyl]methyl]-2-ethoxy-N-methylethanamine
CID 81059786
1-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-3-(4-fluorophenyl)propan-2-one
CID 105415832

Frequently Asked Questions

What is the IUPAC name of 1-[2-ethoxyethyl(methyl)amino]-3-(4-fluorophenyl)propan-2-one?
The IUPAC name of 1-[2-ethoxyethyl(methyl)amino]-3-(4-fluorophenyl)propan-2-one (CID 81058187) is 1-[2-ethoxyethyl(methyl)amino]-3-(4-fluorophenyl)propan-2-one.
What is the SMILES notation for 1-[2-ethoxyethyl(methyl)amino]-3-(4-fluorophenyl)propan-2-one?
The canonical SMILES for 1-[2-ethoxyethyl(methyl)amino]-3-(4-fluorophenyl)propan-2-one is CCOCCN(C)CC(=O)Cc1ccc(F)cc1.
What is the InChIKey of 1-[2-ethoxyethyl(methyl)amino]-3-(4-fluorophenyl)propan-2-one?
The InChIKey is OSLCOOVHXCJAFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO2/c1-3-18-9-8-16(2)11-14(17)10-12-4-6-13(15)7-5-12/h4-7H,3,8-11H2,1-2H3.
What are the key properties of 1-[2-ethoxyethyl(methyl)amino]-3-(4-fluorophenyl)propan-2-one?
1-[2-ethoxyethyl(methyl)amino]-3-(4-fluorophenyl)propan-2-one has a molecular weight of 253.32 g/mol, XLogP of 1.91, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-ethoxyethyl(methyl)amino]-3-(4-fluorophenyl)propan-2-one is sourced from PubChem (CID 81058187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).