1-[2-[2-ethoxyethyl(methyl)amino]-5-fluorophenyl]ethanone

C13H18FNO2 — CID 81056093

IUPAC1-[2-[2-ethoxyethyl(methyl)amino]-5-fluorophenyl]ethanone
SMILESCCOCCN(C)c1ccc(F)cc1C(C)=O
InChIInChI=1S/C13H18FNO2/c1-4-17-8-7-15(3)13-6-5-11(14)9-12(13)10(2)16/h5-6,9H,4,7-8H2,1-3H3
InChIKeyIWQNRHOVUDGUDW-UHFFFAOYSA-N
MW239.29 g/mol
LogP2.50
Rot. Bonds6

About 1-[2-[2-ethoxyethyl(methyl)amino]-5-fluorophenyl]ethanone

1-[2-[2-ethoxyethyl(methyl)amino]-5-fluorophenyl]ethanone (PubChem CID 81056093) has the molecular formula C13H18FNO2 and a molecular weight of 239.29 g/mol. Its IUPAC name is 1-[2-[2-ethoxyethyl(methyl)amino]-5-fluorophenyl]ethanone.

Molecular Properties

Compound Name1-[2-[2-ethoxyethyl(methyl)amino]-5-fluorophenyl]ethanone
PubChem CID81056093
Molecular FormulaC13H18FNO2
Molecular Weight239.29 g/mol
Exact Mass239.13
IUPAC Name1-[2-[2-ethoxyethyl(methyl)amino]-5-fluorophenyl]ethanone
SMILESCCOCCN(C)c1ccc(F)cc1C(C)=O
InChIInChI=1S/C13H18FNO2/c1-4-17-8-7-15(3)13-6-5-11(14)9-12(13)10(2)16/h5-6,9H,4,7-8H2,1-3H3
InChIKeyIWQNRHOVUDGUDW-UHFFFAOYSA-N
XLogP2.50
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.29
LogP ≤ 52.50
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-[2-[3-(dimethylamino)propyl-methylamino]-5-fluorophenyl]ethanone
CID 63694387
2-[bis(2-ethoxyethyl)amino]-5-fluorobenzenecarbothioamide
CID 82960423
2-[2-ethoxyethyl(methyl)amino]-5-methylbenzoic acid
CID 81056290
2-bromo-N-(2-ethoxyethyl)-4-fluoro-N-methylbenzamide
CID 81055309
2-[[2-ethoxyethyl(methyl)amino]methyl]-5-fluorobenzenecarboximidamide
CID 81056626
2-amino-N-(2-ethoxyethyl)-N-ethyl-5-fluorobenzamide
CID 63698396
[4-[2-ethoxyethyl(methyl)amino]-3-methylphenyl]methanol
CID 81058166
(E)-3-[4-[2-ethoxyethyl(methyl)amino]-3-methylphenyl]prop-2-enoic acid
CID 81057863
methyl 3-(2-carbamothioyl-4-fluoro-N-methylanilino)propanoate
CID 63672514
1-[5-bromo-2-[methyl(propyl)amino]phenyl]ethanone
CID 82967352
1-[2-[(5-bromothiophen-3-yl)methyl-methylamino]-5-fluorophenyl]ethanone
CID 54982109
1-[4-[2-ethoxyethyl(ethyl)amino]-3-fluorophenyl]ethanone
CID 63697407

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-ethoxyethyl(methyl)amino]-5-fluorophenyl]ethanone?
The IUPAC name of 1-[2-[2-ethoxyethyl(methyl)amino]-5-fluorophenyl]ethanone (CID 81056093) is 1-[2-[2-ethoxyethyl(methyl)amino]-5-fluorophenyl]ethanone.
What is the SMILES notation for 1-[2-[2-ethoxyethyl(methyl)amino]-5-fluorophenyl]ethanone?
The canonical SMILES for 1-[2-[2-ethoxyethyl(methyl)amino]-5-fluorophenyl]ethanone is CCOCCN(C)c1ccc(F)cc1C(C)=O.
What is the InChIKey of 1-[2-[2-ethoxyethyl(methyl)amino]-5-fluorophenyl]ethanone?
The InChIKey is IWQNRHOVUDGUDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNO2/c1-4-17-8-7-15(3)13-6-5-11(14)9-12(13)10(2)16/h5-6,9H,4,7-8H2,1-3H3.
What are the key properties of 1-[2-[2-ethoxyethyl(methyl)amino]-5-fluorophenyl]ethanone?
1-[2-[2-ethoxyethyl(methyl)amino]-5-fluorophenyl]ethanone has a molecular weight of 239.29 g/mol, XLogP of 2.50, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-ethoxyethyl(methyl)amino]-5-fluorophenyl]ethanone is sourced from PubChem (CID 81056093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).