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

C13H18FNO2 — CID 54949360

IUPAC2-[ethyl(2-methoxyethyl)amino]-1-(3-fluorophenyl)ethanone
SMILESCCN(CCOC)CC(=O)c1cccc(F)c1
InChIInChI=1S/C13H18FNO2/c1-3-15(7-8-17-2)10-13(16)11-5-4-6-12(14)9-11/h4-6,9H,3,7-8,10H2,1-2H3
InChIKeyCFQBJAHEZRZZBH-UHFFFAOYSA-N
MW239.29 g/mol
LogP1.98
Rot. Bonds7

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

2-[ethyl(2-methoxyethyl)amino]-1-(3-fluorophenyl)ethanone (PubChem CID 54949360) has the molecular formula C13H18FNO2 and a molecular weight of 239.29 g/mol. Its IUPAC name is 2-[ethyl(2-methoxyethyl)amino]-1-(3-fluorophenyl)ethanone.

Molecular Properties

Compound Name2-[ethyl(2-methoxyethyl)amino]-1-(3-fluorophenyl)ethanone
PubChem CID54949360
Molecular FormulaC13H18FNO2
Molecular Weight239.29 g/mol
Exact Mass239.13
IUPAC Name2-[ethyl(2-methoxyethyl)amino]-1-(3-fluorophenyl)ethanone
SMILESCCN(CCOC)CC(=O)c1cccc(F)c1
InChIInChI=1S/C13H18FNO2/c1-3-15(7-8-17-2)10-13(16)11-5-4-6-12(14)9-11/h4-6,9H,3,7-8,10H2,1-2H3
InChIKeyCFQBJAHEZRZZBH-UHFFFAOYSA-N
XLogP1.98
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.29
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[ethyl(2-methoxyethyl)amino]-1-(3-methoxyphenyl)ethanone
CID 61446317
1-(3,4-difluorophenyl)-2-[ethyl(2-methoxyethyl)amino]ethanone
CID 54948866
2-[ethyl(2-methylpropyl)amino]-1-(3-fluorophenyl)ethanone
CID 43795891
2-[ethyl-[2-(3-fluorophenyl)-2-oxoethyl]amino]-N,N-dimethylacetamide
CID 62036895
2-[ethyl(1-methoxypropan-2-yl)amino]-1-(3-fluorophenyl)ethanone
CID 55010646
2-[bis(2-methoxyethyl)amino]-1-phenylethanone
CID 60649797
1-(3-fluorophenyl)-2-[propyl(2,2,2-trifluoroethyl)amino]ethanone
CID 55010701
2-[ethyl(furan-2-ylmethyl)amino]-1-(3-fluorophenyl)ethanone
CID 62037198
3-[[ethyl(2-methoxyethyl)amino]methyl]benzoic acid
CID 55136245
2-(N-ethylanilino)-1-(3-fluorophenyl)ethanone
CID 43227492
2-[[ethyl(2-methoxyethyl)amino]methyl]-4-fluorobenzoic acid
CID 107907739
1-(2,6-difluorophenyl)-2-[2-ethoxyethyl(ethyl)amino]ethanone
CID 63698278

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl(2-methoxyethyl)amino]-1-(3-fluorophenyl)ethanone?
The IUPAC name of 2-[ethyl(2-methoxyethyl)amino]-1-(3-fluorophenyl)ethanone (CID 54949360) is 2-[ethyl(2-methoxyethyl)amino]-1-(3-fluorophenyl)ethanone.
What is the SMILES notation for 2-[ethyl(2-methoxyethyl)amino]-1-(3-fluorophenyl)ethanone?
The canonical SMILES for 2-[ethyl(2-methoxyethyl)amino]-1-(3-fluorophenyl)ethanone is CCN(CCOC)CC(=O)c1cccc(F)c1.
What is the InChIKey of 2-[ethyl(2-methoxyethyl)amino]-1-(3-fluorophenyl)ethanone?
The InChIKey is CFQBJAHEZRZZBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNO2/c1-3-15(7-8-17-2)10-13(16)11-5-4-6-12(14)9-11/h4-6,9H,3,7-8,10H2,1-2H3.
What are the key properties of 2-[ethyl(2-methoxyethyl)amino]-1-(3-fluorophenyl)ethanone?
2-[ethyl(2-methoxyethyl)amino]-1-(3-fluorophenyl)ethanone has a molecular weight of 239.29 g/mol, XLogP of 1.98, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl(2-methoxyethyl)amino]-1-(3-fluorophenyl)ethanone is sourced from PubChem (CID 54949360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).