4-(ethylamino)-1-(5-fluoro-2-methylphenyl)butan-2-one

C13H18FNO — CID 105376564

IUPAC4-(ethylamino)-1-(5-fluoro-2-methylphenyl)butan-2-one
SMILESCCNCCC(=O)Cc1cc(F)ccc1C
InChIInChI=1S/C13H18FNO/c1-3-15-7-6-13(16)9-11-8-12(14)5-4-10(11)2/h4-5,8,15H,3,6-7,9H2,1-2H3
InChIKeyPLFGMZVEMPZEKG-UHFFFAOYSA-N
MW223.29 g/mol
LogP2.25
Rot. Bonds6

About 4-(ethylamino)-1-(5-fluoro-2-methylphenyl)butan-2-one

4-(ethylamino)-1-(5-fluoro-2-methylphenyl)butan-2-one (PubChem CID 105376564) has the molecular formula C13H18FNO and a molecular weight of 223.29 g/mol. Its IUPAC name is 4-(ethylamino)-1-(5-fluoro-2-methylphenyl)butan-2-one.

Molecular Properties

Compound Name4-(ethylamino)-1-(5-fluoro-2-methylphenyl)butan-2-one
PubChem CID105376564
Molecular FormulaC13H18FNO
Molecular Weight223.29 g/mol
Exact Mass223.14
IUPAC Name4-(ethylamino)-1-(5-fluoro-2-methylphenyl)butan-2-one
SMILESCCNCCC(=O)Cc1cc(F)ccc1C
InChIInChI=1S/C13H18FNO/c1-3-15-7-6-13(16)9-11-8-12(14)5-4-10(11)2/h4-5,8,15H,3,6-7,9H2,1-2H3
InChIKeyPLFGMZVEMPZEKG-UHFFFAOYSA-N
XLogP2.25
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.29
LogP ≤ 52.25
H-Bond Donors ≤ 51
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-chloro-5-fluorophenyl)-4-(ethylamino)butan-2-one
CID 102622099
1-(5-fluoro-2-methylphenyl)-5-(methylamino)pentan-2-one
CID 105376531
N-[(5-fluoro-2-methylphenyl)methyl]ethanamine
CID 63049129
1-(5-fluoro-2-methylphenyl)-5-hydroxypentan-2-one
CID 106677668
4-(ethylamino)-1-(5-fluoro-2-methylphenyl)pentan-2-one
CID 105376567
1-(5-fluoro-2-methylphenyl)-3-(propan-2-ylamino)propan-2-one
CID 105376529
1-(2-chloro-5-fluorophenyl)-3-(ethylamino)propan-1-one
CID 105396438
1-cyclohexyl-3-(5-fluoro-2-methylphenyl)propan-2-one
CID 105376845
1-(5-fluoro-2-methylphenyl)heptan-4-one
CID 105375483
N-ethyl-4-(5-fluoro-2-methylphenyl)-3-methylbutan-1-amine
CID 105376275
1-(5-fluoro-2-methylphenyl)-3-propan-2-ylsulfanylpropan-2-one
CID 105373242
4-(3-aminophenyl)-1-(5-fluoro-2-methylphenyl)butan-2-one
CID 105376676

Frequently Asked Questions

What is the IUPAC name of 4-(ethylamino)-1-(5-fluoro-2-methylphenyl)butan-2-one?
The IUPAC name of 4-(ethylamino)-1-(5-fluoro-2-methylphenyl)butan-2-one (CID 105376564) is 4-(ethylamino)-1-(5-fluoro-2-methylphenyl)butan-2-one.
What is the SMILES notation for 4-(ethylamino)-1-(5-fluoro-2-methylphenyl)butan-2-one?
The canonical SMILES for 4-(ethylamino)-1-(5-fluoro-2-methylphenyl)butan-2-one is CCNCCC(=O)Cc1cc(F)ccc1C.
What is the InChIKey of 4-(ethylamino)-1-(5-fluoro-2-methylphenyl)butan-2-one?
The InChIKey is PLFGMZVEMPZEKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNO/c1-3-15-7-6-13(16)9-11-8-12(14)5-4-10(11)2/h4-5,8,15H,3,6-7,9H2,1-2H3.
What are the key properties of 4-(ethylamino)-1-(5-fluoro-2-methylphenyl)butan-2-one?
4-(ethylamino)-1-(5-fluoro-2-methylphenyl)butan-2-one has a molecular weight of 223.29 g/mol, XLogP of 2.25, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(ethylamino)-1-(5-fluoro-2-methylphenyl)butan-2-one is sourced from PubChem (CID 105376564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).