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

C14H20FNO2 — CID 114058464

IUPAC1-[2-[2-ethoxyethyl(ethyl)amino]-3-fluorophenyl]ethanone
SMILESCCOCCN(CC)c1c(F)cccc1C(C)=O
InChIInChI=1S/C14H20FNO2/c1-4-16(9-10-18-5-2)14-12(11(3)17)7-6-8-13(14)15/h6-8H,4-5,9-10H2,1-3H3
InChIKeyNAKPGLNOJVUEEN-UHFFFAOYSA-N
MW253.32 g/mol
LogP2.89
Rot. Bonds7

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

1-[2-[2-ethoxyethyl(ethyl)amino]-3-fluorophenyl]ethanone (PubChem CID 114058464) has the molecular formula C14H20FNO2 and a molecular weight of 253.32 g/mol. Its IUPAC name is 1-[2-[2-ethoxyethyl(ethyl)amino]-3-fluorophenyl]ethanone.

Molecular Properties

Compound Name1-[2-[2-ethoxyethyl(ethyl)amino]-3-fluorophenyl]ethanone
PubChem CID114058464
Molecular FormulaC14H20FNO2
Molecular Weight253.32 g/mol
Exact Mass253.15
IUPAC Name1-[2-[2-ethoxyethyl(ethyl)amino]-3-fluorophenyl]ethanone
SMILESCCOCCN(CC)c1c(F)cccc1C(C)=O
InChIInChI=1S/C14H20FNO2/c1-4-16(9-10-18-5-2)14-12(11(3)17)7-6-8-13(14)15/h6-8H,4-5,9-10H2,1-3H3
InChIKeyNAKPGLNOJVUEEN-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'}

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Related Compounds

[2-[2-ethoxyethyl(ethyl)amino]-3-fluorophenyl]methanol
CID 114067502
3-amino-2-[2-ethoxyethyl(ethyl)amino]benzamide
CID 112578972
3-chloro-2-[2-ethoxyethyl(ethyl)amino]benzoic acid
CID 114067329
1-[4-[2-ethoxyethyl(ethyl)amino]-3-fluorophenyl]ethanone
CID 63697407
2-[2-ethoxyethyl(ethyl)amino]-1-(2-fluorophenyl)ethanone
CID 63696521
[4-[2-ethoxyethyl(ethyl)amino]-3,5-difluorophenyl]methanol
CID 55226530
3-[2-ethoxyethyl(ethyl)amino]benzoic acid
CID 102822991
1-[5-[2-ethoxyethyl(ethyl)amino]-2-pyridinyl]ethanone
CID 83119464
1-(2,6-difluorophenyl)-2-[2-ethoxyethyl(ethyl)amino]ethanone
CID 63698278
4-[2-ethoxyethyl(ethyl)amino]-2,3-difluorobenzoic acid
CID 114017930
2-[2-ethoxyethyl(ethyl)amino]pyridine-3-carboxylic acid
CID 63690234
N-(2-ethoxyethyl)-N-ethyl-3-fluoro-2-(methylaminomethyl)aniline
CID 114065673

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-ethoxyethyl(ethyl)amino]-3-fluorophenyl]ethanone?
The IUPAC name of 1-[2-[2-ethoxyethyl(ethyl)amino]-3-fluorophenyl]ethanone (CID 114058464) is 1-[2-[2-ethoxyethyl(ethyl)amino]-3-fluorophenyl]ethanone.
What is the SMILES notation for 1-[2-[2-ethoxyethyl(ethyl)amino]-3-fluorophenyl]ethanone?
The canonical SMILES for 1-[2-[2-ethoxyethyl(ethyl)amino]-3-fluorophenyl]ethanone is CCOCCN(CC)c1c(F)cccc1C(C)=O.
What is the InChIKey of 1-[2-[2-ethoxyethyl(ethyl)amino]-3-fluorophenyl]ethanone?
The InChIKey is NAKPGLNOJVUEEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO2/c1-4-16(9-10-18-5-2)14-12(11(3)17)7-6-8-13(14)15/h6-8H,4-5,9-10H2,1-3H3.
What are the key properties of 1-[2-[2-ethoxyethyl(ethyl)amino]-3-fluorophenyl]ethanone?
1-[2-[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-[2-[2-ethoxyethyl(ethyl)amino]-3-fluorophenyl]ethanone is sourced from PubChem (CID 114058464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).