3-(diethylamino)-1-(4-fluorophenyl)propan-1-one;hydrochloride

C13H19ClFNO — CID 12644971

IUPAC3-(diethylamino)-1-(4-fluorophenyl)propan-1-one;hydrochloride
SMILESCCN(CC)CCC(=O)c1ccc(F)cc1.Cl
InChIInChI=1S/C13H18FNO.ClH/c1-3-15(4-2)10-9-13(16)11-5-7-12(14)8-6-11;/h5-8H,3-4,9-10H2,1-2H3;1H
InChIKeyAKNWAXJGJZVLIU-UHFFFAOYSA-N
MW259.75 g/mol
LogP3.16
Rot. Bonds6

About 3-(diethylamino)-1-(4-fluorophenyl)propan-1-one;hydrochloride

3-(diethylamino)-1-(4-fluorophenyl)propan-1-one;hydrochloride (PubChem CID 12644971) has the molecular formula C13H19ClFNO and a molecular weight of 259.75 g/mol. Its IUPAC name is 3-(diethylamino)-1-(4-fluorophenyl)propan-1-one;hydrochloride.

Molecular Properties

Compound Name3-(diethylamino)-1-(4-fluorophenyl)propan-1-one;hydrochloride
PubChem CID12644971
Molecular FormulaC13H19ClFNO
Molecular Weight259.75 g/mol
Exact Mass259.11
IUPAC Name3-(diethylamino)-1-(4-fluorophenyl)propan-1-one;hydrochloride
SMILESCCN(CC)CCC(=O)c1ccc(F)cc1.Cl
InChIInChI=1S/C13H18FNO.ClH/c1-3-15(4-2)10-9-13(16)11-5-7-12(14)8-6-11;/h5-8H,3-4,9-10H2,1-2H3;1H
InChIKeyAKNWAXJGJZVLIU-UHFFFAOYSA-N
XLogP3.16
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.75
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Tolperisone
CID 5511
Melperone
CID 15387
Diethylpropion
CID 7029
Diethylpropion Hydrochloride
CID 91442
Eperisone
CID 3236
Tolperisone Hydrochloride
CID 92965
Metamfepramone
CID 71872
Alpha-Pyrrolidinopentiophenone
CID 11148955
Eperisone Hydrochloride
CID 123698
1-Propanone, 3-(dimethylamino)-1-phenyl-, hydrochloride (1:1)
CID 92844
Lenperone
CID 32593
Melperone hydrochloride
CID 9926325

Frequently Asked Questions

What is the IUPAC name of 3-(diethylamino)-1-(4-fluorophenyl)propan-1-one;hydrochloride?
The IUPAC name of 3-(diethylamino)-1-(4-fluorophenyl)propan-1-one;hydrochloride (CID 12644971) is 3-(diethylamino)-1-(4-fluorophenyl)propan-1-one;hydrochloride.
What is the SMILES notation for 3-(diethylamino)-1-(4-fluorophenyl)propan-1-one;hydrochloride?
The canonical SMILES for 3-(diethylamino)-1-(4-fluorophenyl)propan-1-one;hydrochloride is CCN(CC)CCC(=O)c1ccc(F)cc1.Cl.
What is the InChIKey of 3-(diethylamino)-1-(4-fluorophenyl)propan-1-one;hydrochloride?
The InChIKey is AKNWAXJGJZVLIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNO.ClH/c1-3-15(4-2)10-9-13(16)11-5-7-12(14)8-6-11;/h5-8H,3-4,9-10H2,1-2H3;1H.
What are the key properties of 3-(diethylamino)-1-(4-fluorophenyl)propan-1-one;hydrochloride?
3-(diethylamino)-1-(4-fluorophenyl)propan-1-one;hydrochloride has a molecular weight of 259.75 g/mol, XLogP of 3.16, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(diethylamino)-1-(4-fluorophenyl)propan-1-one;hydrochloride is sourced from PubChem (CID 12644971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).