1-(ethylamino)-3-(4-fluorophenyl)propan-2-one

C11H14FNO — CID 116562482

IUPAC1-(ethylamino)-3-(4-fluorophenyl)propan-2-one
SMILESCCNCC(=O)Cc1ccc(F)cc1
InChIInChI=1S/C11H14FNO/c1-2-13-8-11(14)7-9-3-5-10(12)6-4-9/h3-6,13H,2,7-8H2,1H3
InChIKeyUKCLAHOZKGBESY-UHFFFAOYSA-N
MW195.24 g/mol
LogP1.55
Rot. Bonds5

About 1-(ethylamino)-3-(4-fluorophenyl)propan-2-one

1-(ethylamino)-3-(4-fluorophenyl)propan-2-one (PubChem CID 116562482) has the molecular formula C11H14FNO and a molecular weight of 195.24 g/mol. Its IUPAC name is 1-(ethylamino)-3-(4-fluorophenyl)propan-2-one.

Molecular Properties

Compound Name1-(ethylamino)-3-(4-fluorophenyl)propan-2-one
PubChem CID116562482
Molecular FormulaC11H14FNO
Molecular Weight195.24 g/mol
Exact Mass195.11
IUPAC Name1-(ethylamino)-3-(4-fluorophenyl)propan-2-one
SMILESCCNCC(=O)Cc1ccc(F)cc1
InChIInChI=1S/C11H14FNO/c1-2-13-8-11(14)7-9-3-5-10(12)6-4-9/h3-6,13H,2,7-8H2,1H3
InChIKeyUKCLAHOZKGBESY-UHFFFAOYSA-N
XLogP1.55
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.24
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-fluorophenyl)-3-(methylamino)propan-2-one
CID 83636230
1-(4-fluorophenyl)pentane-2,4-dione
CID 57447744
N-[(4-fluorophenyl)methyl]ethanamine
CID 4716481
1-(3,5-dimethylphenyl)-3-(ethylamino)propan-2-one
CID 116562424
1-ethylsulfanyl-3-(4-fluorophenyl)propan-2-one
CID 43802012
5,5,5-trifluoro-1-(4-fluorophenyl)pentan-2-one
CID 64565924
1-(2-bromo-3-fluorophenyl)-3-(ethylamino)propan-2-one
CID 116562639
1-(4-fluorophenyl)-3-pyridin-4-ylpropan-2-one
CID 62551750
1-(4-fluorophenyl)-4-(propan-2-ylamino)butan-2-one
CID 116556389
1-(4-fluorophenyl)-4-methylheptan-2-one
CID 62622075
1-(4-fluorophenyl)butane-2,3-dione
CID 83696223
1-butan-2-ylsulfanyl-3-(4-fluorophenyl)propan-2-one
CID 43802024

Frequently Asked Questions

What is the IUPAC name of 1-(ethylamino)-3-(4-fluorophenyl)propan-2-one?
The IUPAC name of 1-(ethylamino)-3-(4-fluorophenyl)propan-2-one (CID 116562482) is 1-(ethylamino)-3-(4-fluorophenyl)propan-2-one.
What is the SMILES notation for 1-(ethylamino)-3-(4-fluorophenyl)propan-2-one?
The canonical SMILES for 1-(ethylamino)-3-(4-fluorophenyl)propan-2-one is CCNCC(=O)Cc1ccc(F)cc1.
What is the InChIKey of 1-(ethylamino)-3-(4-fluorophenyl)propan-2-one?
The InChIKey is UKCLAHOZKGBESY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FNO/c1-2-13-8-11(14)7-9-3-5-10(12)6-4-9/h3-6,13H,2,7-8H2,1H3.
What are the key properties of 1-(ethylamino)-3-(4-fluorophenyl)propan-2-one?
1-(ethylamino)-3-(4-fluorophenyl)propan-2-one has a molecular weight of 195.24 g/mol, XLogP of 1.55, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(ethylamino)-3-(4-fluorophenyl)propan-2-one is sourced from PubChem (CID 116562482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).