3-[butyl(ethyl)amino]-1-(2-fluorophenyl)propan-1-one

C15H22FNO — CID 62618359

IUPAC3-[butyl(ethyl)amino]-1-(2-fluorophenyl)propan-1-one
SMILESCCCCN(CC)CCC(=O)c1ccccc1F
InChIInChI=1S/C15H22FNO/c1-3-5-11-17(4-2)12-10-15(18)13-8-6-7-9-14(13)16/h6-9H,3-5,10-12H2,1-2H3
InChIKeyWRQOMCADQPTYLU-UHFFFAOYSA-N
MW251.34 g/mol
LogP3.52
Rot. Bonds8

About 3-[butyl(ethyl)amino]-1-(2-fluorophenyl)propan-1-one

3-[butyl(ethyl)amino]-1-(2-fluorophenyl)propan-1-one (PubChem CID 62618359) has the molecular formula C15H22FNO and a molecular weight of 251.34 g/mol. Its IUPAC name is 3-[butyl(ethyl)amino]-1-(2-fluorophenyl)propan-1-one.

Molecular Properties

Compound Name3-[butyl(ethyl)amino]-1-(2-fluorophenyl)propan-1-one
PubChem CID62618359
Molecular FormulaC15H22FNO
Molecular Weight251.34 g/mol
Exact Mass251.17
IUPAC Name3-[butyl(ethyl)amino]-1-(2-fluorophenyl)propan-1-one
SMILESCCCCN(CC)CCC(=O)c1ccccc1F
InChIInChI=1S/C15H22FNO/c1-3-5-11-17(4-2)12-10-15(18)13-8-6-7-9-14(13)16/h6-9H,3-5,10-12H2,1-2H3
InChIKeyWRQOMCADQPTYLU-UHFFFAOYSA-N
XLogP3.52
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.34
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-[3-(dimethylamino)propyl-ethylamino]-1-(2-fluorophenyl)propan-1-one
CID 102997005
3-[benzyl(ethyl)amino]-1-(2-fluorophenyl)propan-1-one
CID 62618687
3-[cyclopropylmethyl(ethyl)amino]-1-(2-fluorophenyl)propan-1-one
CID 63956709
2-[3-(diethylamino)propyl-ethylamino]-1-(2-fluorophenyl)ethanone
CID 102995129
3-(dibutylamino)-1-(2-fluorophenyl)-2-methylpropan-1-one
CID 115996505
3-[cyclopropyl(propyl)amino]-1-(2-fluorophenyl)propan-1-one
CID 62619022
3-(dibutylamino)-1-phenylpropan-1-one
CID 62614247
1-(2-fluorophenyl)octane-1,3-dione
CID 43138821
N-butyl-4-(2-fluorophenyl)-4-oxobutanamide
CID 110406683
2-[butyl(ethyl)amino]-1-(2-chlorophenyl)ethanone
CID 43219892
2-[ethyl-[2-(2-fluorophenyl)-2-oxoethyl]amino]acetamide
CID 103103098
2-(dibutylamino)-1-(2,6-difluorophenyl)ethanone
CID 43227933

Frequently Asked Questions

What is the IUPAC name of 3-[butyl(ethyl)amino]-1-(2-fluorophenyl)propan-1-one?
The IUPAC name of 3-[butyl(ethyl)amino]-1-(2-fluorophenyl)propan-1-one (CID 62618359) is 3-[butyl(ethyl)amino]-1-(2-fluorophenyl)propan-1-one.
What is the SMILES notation for 3-[butyl(ethyl)amino]-1-(2-fluorophenyl)propan-1-one?
The canonical SMILES for 3-[butyl(ethyl)amino]-1-(2-fluorophenyl)propan-1-one is CCCCN(CC)CCC(=O)c1ccccc1F.
What is the InChIKey of 3-[butyl(ethyl)amino]-1-(2-fluorophenyl)propan-1-one?
The InChIKey is WRQOMCADQPTYLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FNO/c1-3-5-11-17(4-2)12-10-15(18)13-8-6-7-9-14(13)16/h6-9H,3-5,10-12H2,1-2H3.
What are the key properties of 3-[butyl(ethyl)amino]-1-(2-fluorophenyl)propan-1-one?
3-[butyl(ethyl)amino]-1-(2-fluorophenyl)propan-1-one has a molecular weight of 251.34 g/mol, XLogP of 3.52, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[butyl(ethyl)amino]-1-(2-fluorophenyl)propan-1-one is sourced from PubChem (CID 62618359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).