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

C18H20FNO — CID 62618687

IUPAC3-[benzyl(ethyl)amino]-1-(2-fluorophenyl)propan-1-one
SMILESCCN(CCC(=O)c1ccccc1F)Cc1ccccc1
InChIInChI=1S/C18H20FNO/c1-2-20(14-15-8-4-3-5-9-15)13-12-18(21)16-10-6-7-11-17(16)19/h3-11H,2,12-14H2,1H3
InChIKeyJAPJXJFPCPAROL-UHFFFAOYSA-N
MW285.36 g/mol
LogP3.92
Rot. Bonds7

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

3-[benzyl(ethyl)amino]-1-(2-fluorophenyl)propan-1-one (PubChem CID 62618687) has the molecular formula C18H20FNO and a molecular weight of 285.36 g/mol. Its IUPAC name is 3-[benzyl(ethyl)amino]-1-(2-fluorophenyl)propan-1-one.

Molecular Properties

Compound Name3-[benzyl(ethyl)amino]-1-(2-fluorophenyl)propan-1-one
PubChem CID62618687
Molecular FormulaC18H20FNO
Molecular Weight285.36 g/mol
Exact Mass285.15
IUPAC Name3-[benzyl(ethyl)amino]-1-(2-fluorophenyl)propan-1-one
SMILESCCN(CCC(=O)c1ccccc1F)Cc1ccccc1
InChIInChI=1S/C18H20FNO/c1-2-20(14-15-8-4-3-5-9-15)13-12-18(21)16-10-6-7-11-17(16)19/h3-11H,2,12-14H2,1H3
InChIKeyJAPJXJFPCPAROL-UHFFFAOYSA-N
XLogP3.92
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.36
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-[butyl(ethyl)amino]-1-(2-fluorophenyl)propan-1-one
CID 62618359
3-[3-(dimethylamino)propyl-ethylamino]-1-(2-fluorophenyl)propan-1-one
CID 102997005
2-[benzyl(2-hydroxyethyl)amino]-1-(2-fluorophenyl)ethanone
CID 62114429
3-[cyclopropylmethyl(ethyl)amino]-1-(2-fluorophenyl)propan-1-one
CID 63956709
2-[3-(diethylamino)propyl-ethylamino]-1-(2-fluorophenyl)ethanone
CID 102995129
5-[benzyl(ethyl)amino]pentan-2-one
CID 62050785
3-[benzyl-(3-oxo-3-phenylpropyl)amino]-1-phenylpropan-1-one
CID 135021147
2-[ethyl-[2-(2-fluorophenyl)-2-oxoethyl]amino]acetamide
CID 103103098
methyl 2-[3-[benzyl(ethyl)amino]propanoylamino]benzoate
CID 109023113
ethane;2-fluorobenzoic acid
CID 91182768
1-(5-bromo-2-fluorophenyl)-3-(diethylamino)propan-1-one
CID 79021474
2-[benzyl(ethyl)amino]-1-(4-fluorophenyl)ethanone
CID 60649817

Frequently Asked Questions

What is the IUPAC name of 3-[benzyl(ethyl)amino]-1-(2-fluorophenyl)propan-1-one?
The IUPAC name of 3-[benzyl(ethyl)amino]-1-(2-fluorophenyl)propan-1-one (CID 62618687) is 3-[benzyl(ethyl)amino]-1-(2-fluorophenyl)propan-1-one.
What is the SMILES notation for 3-[benzyl(ethyl)amino]-1-(2-fluorophenyl)propan-1-one?
The canonical SMILES for 3-[benzyl(ethyl)amino]-1-(2-fluorophenyl)propan-1-one is CCN(CCC(=O)c1ccccc1F)Cc1ccccc1.
What is the InChIKey of 3-[benzyl(ethyl)amino]-1-(2-fluorophenyl)propan-1-one?
The InChIKey is JAPJXJFPCPAROL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FNO/c1-2-20(14-15-8-4-3-5-9-15)13-12-18(21)16-10-6-7-11-17(16)19/h3-11H,2,12-14H2,1H3.
What are the key properties of 3-[benzyl(ethyl)amino]-1-(2-fluorophenyl)propan-1-one?
3-[benzyl(ethyl)amino]-1-(2-fluorophenyl)propan-1-one has a molecular weight of 285.36 g/mol, XLogP of 3.92, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[benzyl(ethyl)amino]-1-(2-fluorophenyl)propan-1-one is sourced from PubChem (CID 62618687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).