1-[butan-2-yl(ethyl)amino]-3-(4-fluorophenyl)propan-2-one

C15H22FNO — CID 43795966

IUPAC1-[butan-2-yl(ethyl)amino]-3-(4-fluorophenyl)propan-2-one
SMILESCCC(C)N(CC)CC(=O)Cc1ccc(F)cc1
InChIInChI=1S/C15H22FNO/c1-4-12(3)17(5-2)11-15(18)10-13-6-8-14(16)9-7-13/h6-9,12H,4-5,10-11H2,1-3H3
InChIKeySJNHUISWIHMFBS-UHFFFAOYSA-N
MW251.34 g/mol
LogP3.06
Rot. Bonds7

About 1-[butan-2-yl(ethyl)amino]-3-(4-fluorophenyl)propan-2-one

1-[butan-2-yl(ethyl)amino]-3-(4-fluorophenyl)propan-2-one (PubChem CID 43795966) has the molecular formula C15H22FNO and a molecular weight of 251.34 g/mol. Its IUPAC name is 1-[butan-2-yl(ethyl)amino]-3-(4-fluorophenyl)propan-2-one.

Molecular Properties

Compound Name1-[butan-2-yl(ethyl)amino]-3-(4-fluorophenyl)propan-2-one
PubChem CID43795966
Molecular FormulaC15H22FNO
Molecular Weight251.34 g/mol
Exact Mass251.17
IUPAC Name1-[butan-2-yl(ethyl)amino]-3-(4-fluorophenyl)propan-2-one
SMILESCCC(C)N(CC)CC(=O)Cc1ccc(F)cc1
InChIInChI=1S/C15H22FNO/c1-4-12(3)17(5-2)11-15(18)10-13-6-8-14(16)9-7-13/h6-9,12H,4-5,10-11H2,1-3H3
InChIKeySJNHUISWIHMFBS-UHFFFAOYSA-N
XLogP3.06
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.34
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[butan-2-yl(ethyl)amino]-1-(4-fluorophenyl)ethanone
CID 43795952
3-[[3-(4-fluorophenyl)-2-oxopropyl]-propan-2-ylamino]propanenitrile
CID 62035070
1-(4-fluorophenyl)-4-methylheptan-2-one
CID 62622075
2-[ethyl-[3-(4-fluorophenyl)-2-oxopropyl]amino]-N,N-dimethylacetamide
CID 62034961
1-butan-2-ylsulfanyl-3-(4-fluorophenyl)propan-2-one
CID 43802024
1-[cyclopropylmethyl(ethyl)amino]-3-(4-fluorophenyl)propan-2-one
CID 63955214
1-(4-fluorophenyl)-3-[2-hydroxyethyl(methyl)amino]propan-2-one
CID 62052606
1-phenyl-3-[propan-2-yl(propyl)amino]propan-2-one
CID 43795409
N-ethyl-N-[(4-fluorophenyl)methyl]-2-methylpropanamide
CID 91015016
1-[2-ethoxyethyl(methyl)amino]-3-(4-fluorophenyl)propan-2-one
CID 81058187
1-(4-fluorophenyl)-3-[(2-hydroxy-2-methylpropyl)-methylamino]propan-2-one
CID 79389969
1-(4-fluorophenyl)pentane-2,4-dione
CID 57447744

Frequently Asked Questions

What is the IUPAC name of 1-[butan-2-yl(ethyl)amino]-3-(4-fluorophenyl)propan-2-one?
The IUPAC name of 1-[butan-2-yl(ethyl)amino]-3-(4-fluorophenyl)propan-2-one (CID 43795966) is 1-[butan-2-yl(ethyl)amino]-3-(4-fluorophenyl)propan-2-one.
What is the SMILES notation for 1-[butan-2-yl(ethyl)amino]-3-(4-fluorophenyl)propan-2-one?
The canonical SMILES for 1-[butan-2-yl(ethyl)amino]-3-(4-fluorophenyl)propan-2-one is CCC(C)N(CC)CC(=O)Cc1ccc(F)cc1.
What is the InChIKey of 1-[butan-2-yl(ethyl)amino]-3-(4-fluorophenyl)propan-2-one?
The InChIKey is SJNHUISWIHMFBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FNO/c1-4-12(3)17(5-2)11-15(18)10-13-6-8-14(16)9-7-13/h6-9,12H,4-5,10-11H2,1-3H3.
What are the key properties of 1-[butan-2-yl(ethyl)amino]-3-(4-fluorophenyl)propan-2-one?
1-[butan-2-yl(ethyl)amino]-3-(4-fluorophenyl)propan-2-one has a molecular weight of 251.34 g/mol, XLogP of 3.06, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[butan-2-yl(ethyl)amino]-3-(4-fluorophenyl)propan-2-one is sourced from PubChem (CID 43795966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).