1-(3-fluorophenyl)-2-[methyl(pentyl)amino]ethanone

C14H20FNO — CID 43796075

IUPAC1-(3-fluorophenyl)-2-[methyl(pentyl)amino]ethanone
SMILESCCCCCN(C)CC(=O)c1cccc(F)c1
InChIInChI=1S/C14H20FNO/c1-3-4-5-9-16(2)11-14(17)12-7-6-8-13(15)10-12/h6-8,10H,3-5,9,11H2,1-2H3
InChIKeyWFOBLUFOSMGHOT-UHFFFAOYSA-N
MW237.32 g/mol
LogP3.13
Rot. Bonds7

About 1-(3-fluorophenyl)-2-[methyl(pentyl)amino]ethanone

1-(3-fluorophenyl)-2-[methyl(pentyl)amino]ethanone (PubChem CID 43796075) has the molecular formula C14H20FNO and a molecular weight of 237.32 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-2-[methyl(pentyl)amino]ethanone.

Molecular Properties

Compound Name1-(3-fluorophenyl)-2-[methyl(pentyl)amino]ethanone
PubChem CID43796075
Molecular FormulaC14H20FNO
Molecular Weight237.32 g/mol
Exact Mass237.15
IUPAC Name1-(3-fluorophenyl)-2-[methyl(pentyl)amino]ethanone
SMILESCCCCCN(C)CC(=O)c1cccc(F)c1
InChIInChI=1S/C14H20FNO/c1-3-4-5-9-16(2)11-14(17)12-7-6-8-13(15)10-12/h6-8,10H,3-5,9,11H2,1-2H3
InChIKeyWFOBLUFOSMGHOT-UHFFFAOYSA-N
XLogP3.13
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.32
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(2,6-difluorophenyl)-2-[methyl(pentyl)amino]ethanone
CID 43796028
1-(3-fluorophenyl)-2-[methyl(2-pyrrolidin-1-ylethyl)amino]ethanone
CID 63207392
3-fluoro-N,N-di(nonyl)benzamide
CID 533098
1-(3-fluorophenyl)-3-[(4-fluorophenyl)methyl-methylamino]propan-1-one
CID 62643375
1-(3-fluorophenyl)-2-[propyl(2,2,2-trifluoroethyl)amino]ethanone
CID 55010701
2-[ethyl-[2-(3-fluorophenyl)-2-oxoethyl]amino]-N,N-dimethylacetamide
CID 62036895
3-[[2-(3-fluorophenyl)-2-oxoethyl]-methylamino]-2-methylpropanenitrile
CID 62051693
2-[butyl(methyl)amino]-1-(3-fluoro-4-methoxyphenyl)ethanone
CID 43227810
1-(3-fluorophenyl)-2-[methyl-(4-methylcyclohexyl)amino]ethanone
CID 60681563
3-[2,2-dimethylpropyl(methyl)amino]-1-(3-fluorophenyl)propan-1-one
CID 62643544
2-(N-ethylanilino)-1-(3-fluorophenyl)ethanone
CID 43227492
1-(3-fluorophenyl)-2-[methyl-(1-methylpiperidin-4-yl)amino]ethanone
CID 43227335

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-2-[methyl(pentyl)amino]ethanone?
The IUPAC name of 1-(3-fluorophenyl)-2-[methyl(pentyl)amino]ethanone (CID 43796075) is 1-(3-fluorophenyl)-2-[methyl(pentyl)amino]ethanone.
What is the SMILES notation for 1-(3-fluorophenyl)-2-[methyl(pentyl)amino]ethanone?
The canonical SMILES for 1-(3-fluorophenyl)-2-[methyl(pentyl)amino]ethanone is CCCCCN(C)CC(=O)c1cccc(F)c1.
What is the InChIKey of 1-(3-fluorophenyl)-2-[methyl(pentyl)amino]ethanone?
The InChIKey is WFOBLUFOSMGHOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO/c1-3-4-5-9-16(2)11-14(17)12-7-6-8-13(15)10-12/h6-8,10H,3-5,9,11H2,1-2H3.
What are the key properties of 1-(3-fluorophenyl)-2-[methyl(pentyl)amino]ethanone?
1-(3-fluorophenyl)-2-[methyl(pentyl)amino]ethanone has a molecular weight of 237.32 g/mol, XLogP of 3.13, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)-2-[methyl(pentyl)amino]ethanone is sourced from PubChem (CID 43796075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).