2-[butan-2-yl(ethyl)amino]-1-(4-fluorophenyl)ethanone

C14H20FNO — CID 43795952

IUPAC2-[butan-2-yl(ethyl)amino]-1-(4-fluorophenyl)ethanone
SMILESCCC(C)N(CC)CC(=O)c1ccc(F)cc1
InChIInChI=1S/C14H20FNO/c1-4-11(3)16(5-2)10-14(17)12-6-8-13(15)9-7-12/h6-9,11H,4-5,10H2,1-3H3
InChIKeyNPGCPUVRFIELAB-UHFFFAOYSA-N
MW237.32 g/mol
LogP3.13
Rot. Bonds6

About 2-[butan-2-yl(ethyl)amino]-1-(4-fluorophenyl)ethanone

2-[butan-2-yl(ethyl)amino]-1-(4-fluorophenyl)ethanone (PubChem CID 43795952) has the molecular formula C14H20FNO and a molecular weight of 237.32 g/mol. Its IUPAC name is 2-[butan-2-yl(ethyl)amino]-1-(4-fluorophenyl)ethanone.

Molecular Properties

Compound Name2-[butan-2-yl(ethyl)amino]-1-(4-fluorophenyl)ethanone
PubChem CID43795952
Molecular FormulaC14H20FNO
Molecular Weight237.32 g/mol
Exact Mass237.15
IUPAC Name2-[butan-2-yl(ethyl)amino]-1-(4-fluorophenyl)ethanone
SMILESCCC(C)N(CC)CC(=O)c1ccc(F)cc1
InChIInChI=1S/C14H20FNO/c1-4-11(3)16(5-2)10-14(17)12-6-8-13(15)9-7-12/h6-9,11H,4-5,10H2,1-3H3
InChIKeyNPGCPUVRFIELAB-UHFFFAOYSA-N
XLogP3.13
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
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

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Related Compounds

1-[butan-2-yl(ethyl)amino]-3-(4-fluorophenyl)propan-2-one
CID 43795966
2-[butan-2-yl(ethyl)amino]-1-(3-fluoro-4-methoxyphenyl)ethanone
CID 43795984
2-[ethyl(propan-2-yl)amino]-1-(4-propan-2-ylphenyl)ethanone
CID 43795097
2-[butan-2-yl(ethyl)amino]-1-(3-methoxyphenyl)ethanone
CID 43795970
2-butan-2-yloxy-1-(4-fluorophenyl)ethanone
CID 60902739
2-[butan-2-yl(ethyl)amino]-1-(2-chlorophenyl)ethanone
CID 43796012
2-[ethyl(propan-2-yl)amino]-1-(4-propylphenyl)ethanone
CID 43795164
2-[ethyl(methyl)amino]-1-(4-fluorophenyl)propan-1-one
CID 43794816
2-[ethyl(1-methoxypropan-2-yl)amino]-1-(3-fluorophenyl)ethanone
CID 55010646
2-[butan-2-yl(ethyl)amino]-1-thiophen-2-ylethanone
CID 43795972
N-(2-amino-5-fluorophenyl)-2-[butan-2-yl(ethyl)amino]acetamide
CID 43611926
1-(4-bromophenyl)-2-(N-ethyl-4-fluoroanilino)ethanone
CID 63566302

Frequently Asked Questions

What is the IUPAC name of 2-[butan-2-yl(ethyl)amino]-1-(4-fluorophenyl)ethanone?
The IUPAC name of 2-[butan-2-yl(ethyl)amino]-1-(4-fluorophenyl)ethanone (CID 43795952) is 2-[butan-2-yl(ethyl)amino]-1-(4-fluorophenyl)ethanone.
What is the SMILES notation for 2-[butan-2-yl(ethyl)amino]-1-(4-fluorophenyl)ethanone?
The canonical SMILES for 2-[butan-2-yl(ethyl)amino]-1-(4-fluorophenyl)ethanone is CCC(C)N(CC)CC(=O)c1ccc(F)cc1.
What is the InChIKey of 2-[butan-2-yl(ethyl)amino]-1-(4-fluorophenyl)ethanone?
The InChIKey is NPGCPUVRFIELAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO/c1-4-11(3)16(5-2)10-14(17)12-6-8-13(15)9-7-12/h6-9,11H,4-5,10H2,1-3H3.
What are the key properties of 2-[butan-2-yl(ethyl)amino]-1-(4-fluorophenyl)ethanone?
2-[butan-2-yl(ethyl)amino]-1-(4-fluorophenyl)ethanone has a molecular weight of 237.32 g/mol, XLogP of 3.13, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[butan-2-yl(ethyl)amino]-1-(4-fluorophenyl)ethanone is sourced from PubChem (CID 43795952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).