1-(4-fluorophenyl)-4-[2-methoxyethyl(methyl)amino]butan-1-one

C14H20FNO2 — CID 61427319

IUPAC1-(4-fluorophenyl)-4-[2-methoxyethyl(methyl)amino]butan-1-one
SMILESCOCCN(C)CCCC(=O)c1ccc(F)cc1
InChIInChI=1S/C14H20FNO2/c1-16(10-11-18-2)9-3-4-14(17)12-5-7-13(15)8-6-12/h5-8H,3-4,9-11H2,1-2H3
InChIKeyHWDCOOTZLQNDPN-UHFFFAOYSA-N
MW253.32 g/mol
LogP2.37
Rot. Bonds8

About 1-(4-fluorophenyl)-4-[2-methoxyethyl(methyl)amino]butan-1-one

1-(4-fluorophenyl)-4-[2-methoxyethyl(methyl)amino]butan-1-one (PubChem CID 61427319) has the molecular formula C14H20FNO2 and a molecular weight of 253.32 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-4-[2-methoxyethyl(methyl)amino]butan-1-one.

Molecular Properties

Compound Name1-(4-fluorophenyl)-4-[2-methoxyethyl(methyl)amino]butan-1-one
PubChem CID61427319
Molecular FormulaC14H20FNO2
Molecular Weight253.32 g/mol
Exact Mass253.15
IUPAC Name1-(4-fluorophenyl)-4-[2-methoxyethyl(methyl)amino]butan-1-one
SMILESCOCCN(C)CCCC(=O)c1ccc(F)cc1
InChIInChI=1S/C14H20FNO2/c1-16(10-11-18-2)9-3-4-14(17)12-5-7-13(15)8-6-12/h5-8H,3-4,9-11H2,1-2H3
InChIKeyHWDCOOTZLQNDPN-UHFFFAOYSA-N
XLogP2.37
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 ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-[2-ethoxyethyl(methyl)amino]-1-(4-fluorophenyl)propan-1-one
CID 81058005
1-(4-fluorophenyl)-4-[methyl(2-methylsulfonylethyl)amino]butan-1-one
CID 79849841
1-(4-fluorophenyl)-3-[2-methoxyethyl(propan-2-yl)amino]propan-1-one
CID 82952009
1-(4-fluorophenyl)-4-[methyl(2-methylpropyl)amino]butan-1-one
CID 43792985
1-(4-fluorophenyl)-4-[methyl(2-phenylethyl)amino]butan-1-one
CID 129323215
2-methoxyethyl 4-(4-fluorophenyl)-4-oxobutanoate
CID 78830805
1-(4-chlorophenyl)-3-[3-methoxypropyl(methyl)amino]propan-1-one
CID 63010086
1-(4-fluorophenyl)-3-[(2-hydroxy-3-methoxypropyl)-methylamino]propan-1-one
CID 62029566
1-(4-fluorophenyl)-4-(2-methoxyethylsulfonyl)butan-1-one
CID 64644323
1-(4-fluorophenyl)-3-[(4-fluorophenyl)methyl-methylamino]propan-1-one
CID 60649629
5-(4-fluorophenyl)-N-(3-methoxypropyl)-5-oxopentanamide
CID 110298068
1,9-bis(4-fluorophenyl)nonane-1,9-dione
CID 68637188

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-4-[2-methoxyethyl(methyl)amino]butan-1-one?
The IUPAC name of 1-(4-fluorophenyl)-4-[2-methoxyethyl(methyl)amino]butan-1-one (CID 61427319) is 1-(4-fluorophenyl)-4-[2-methoxyethyl(methyl)amino]butan-1-one.
What is the SMILES notation for 1-(4-fluorophenyl)-4-[2-methoxyethyl(methyl)amino]butan-1-one?
The canonical SMILES for 1-(4-fluorophenyl)-4-[2-methoxyethyl(methyl)amino]butan-1-one is COCCN(C)CCCC(=O)c1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-4-[2-methoxyethyl(methyl)amino]butan-1-one?
The InChIKey is HWDCOOTZLQNDPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO2/c1-16(10-11-18-2)9-3-4-14(17)12-5-7-13(15)8-6-12/h5-8H,3-4,9-11H2,1-2H3.
What are the key properties of 1-(4-fluorophenyl)-4-[2-methoxyethyl(methyl)amino]butan-1-one?
1-(4-fluorophenyl)-4-[2-methoxyethyl(methyl)amino]butan-1-one has a molecular weight of 253.32 g/mol, XLogP of 2.37, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-4-[2-methoxyethyl(methyl)amino]butan-1-one is sourced from PubChem (CID 61427319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).