3-(butan-2-ylamino)-1-(4-fluorophenyl)propan-1-one

C13H18FNO — CID 10376307

IUPAC3-(butan-2-ylamino)-1-(4-fluorophenyl)propan-1-one
SMILESCCC(C)NCCC(=O)c1ccc(F)cc1
InChIInChI=1S/C13H18FNO/c1-3-10(2)15-9-8-13(16)11-4-6-12(14)7-5-11/h4-7,10,15H,3,8-9H2,1-2H3
InChIKeyZGGJKVGCJXSSQX-UHFFFAOYSA-N
MW223.29 g/mol
LogP2.79
Rot. Bonds6

About 3-(butan-2-ylamino)-1-(4-fluorophenyl)propan-1-one

3-(butan-2-ylamino)-1-(4-fluorophenyl)propan-1-one (PubChem CID 10376307) has the molecular formula C13H18FNO and a molecular weight of 223.29 g/mol. Its IUPAC name is 3-(butan-2-ylamino)-1-(4-fluorophenyl)propan-1-one.

Molecular Properties

Compound Name3-(butan-2-ylamino)-1-(4-fluorophenyl)propan-1-one
PubChem CID10376307
Molecular FormulaC13H18FNO
Molecular Weight223.29 g/mol
Exact Mass223.14
IUPAC Name3-(butan-2-ylamino)-1-(4-fluorophenyl)propan-1-one
SMILESCCC(C)NCCC(=O)c1ccc(F)cc1
InChIInChI=1S/C13H18FNO/c1-3-10(2)15-9-8-13(16)11-4-6-12(14)7-5-11/h4-7,10,15H,3,8-9H2,1-2H3
InChIKeyZGGJKVGCJXSSQX-UHFFFAOYSA-N
XLogP2.79
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 ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(butan-2-ylamino)-1-(4-chlorophenyl)propan-1-one
CID 112510179
3-(butan-2-ylamino)-1-phenylpropan-1-one
CID 112509787
3-(4-butan-2-ylanilino)-1-(4-fluorophenyl)propan-1-one
CID 3555461
N-[(3Z)-3-(4-fluorophenyl)-3-methoxyiminopropyl]butan-2-amine
CID 10106253
3-[[1-(4-fluorophenyl)-1-hydroxypropan-2-yl]amino]-1-(4-methylphenyl)propan-1-one
CID 12625681
1-(4-fluorophenyl)-3-(4-propan-2-ylanilino)propan-1-one
CID 4249451
1-(4-fluorophenyl)-3-[[methyl(phosphanyl)phosphanyl]amino]propan-1-one
CID 159689934
4-butan-2-ylsulfinyl-1-(4-fluorophenyl)butan-1-one
CID 64638253
2-butan-2-yloxy-1-(4-fluorophenyl)ethanone
CID 60902739
2-[[(2S)-butan-2-yl]amino]-N-(4-fluorophenyl)acetamide
CID 28565900
N-[2-(butan-2-ylcarbamoylamino)ethyl]-4-fluorobenzamide
CID 47386650
1,9-bis(4-fluorophenyl)nonane-1,9-dione
CID 68637188

Frequently Asked Questions

What is the IUPAC name of 3-(butan-2-ylamino)-1-(4-fluorophenyl)propan-1-one?
The IUPAC name of 3-(butan-2-ylamino)-1-(4-fluorophenyl)propan-1-one (CID 10376307) is 3-(butan-2-ylamino)-1-(4-fluorophenyl)propan-1-one.
What is the SMILES notation for 3-(butan-2-ylamino)-1-(4-fluorophenyl)propan-1-one?
The canonical SMILES for 3-(butan-2-ylamino)-1-(4-fluorophenyl)propan-1-one is CCC(C)NCCC(=O)c1ccc(F)cc1.
What is the InChIKey of 3-(butan-2-ylamino)-1-(4-fluorophenyl)propan-1-one?
The InChIKey is ZGGJKVGCJXSSQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNO/c1-3-10(2)15-9-8-13(16)11-4-6-12(14)7-5-11/h4-7,10,15H,3,8-9H2,1-2H3.
What are the key properties of 3-(butan-2-ylamino)-1-(4-fluorophenyl)propan-1-one?
3-(butan-2-ylamino)-1-(4-fluorophenyl)propan-1-one has a molecular weight of 223.29 g/mol, XLogP of 2.79, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(butan-2-ylamino)-1-(4-fluorophenyl)propan-1-one is sourced from PubChem (CID 10376307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).