1-(4-chlorophenyl)-2-(diethylamino)-2-ethylbutan-1-one

C16H24ClNO — CID 79062686

IUPAC1-(4-chlorophenyl)-2-(diethylamino)-2-ethylbutan-1-one
SMILESCCN(CC)C(CC)(CC)C(=O)c1ccc(Cl)cc1
InChIInChI=1S/C16H24ClNO/c1-5-16(6-2,18(7-3)8-4)15(19)13-9-11-14(17)12-10-13/h9-12H,5-8H2,1-4H3
InChIKeyDVZGZCUNJCYABW-UHFFFAOYSA-N
MW281.83 g/mol
LogP4.42
Rot. Bonds7

About 1-(4-chlorophenyl)-2-(diethylamino)-2-ethylbutan-1-one

1-(4-chlorophenyl)-2-(diethylamino)-2-ethylbutan-1-one (PubChem CID 79062686) has the molecular formula C16H24ClNO and a molecular weight of 281.83 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-2-(diethylamino)-2-ethylbutan-1-one.

Molecular Properties

Compound Name1-(4-chlorophenyl)-2-(diethylamino)-2-ethylbutan-1-one
PubChem CID79062686
Molecular FormulaC16H24ClNO
Molecular Weight281.83 g/mol
Exact Mass281.15
IUPAC Name1-(4-chlorophenyl)-2-(diethylamino)-2-ethylbutan-1-one
SMILESCCN(CC)C(CC)(CC)C(=O)c1ccc(Cl)cc1
InChIInChI=1S/C16H24ClNO/c1-5-16(6-2,18(7-3)8-4)15(19)13-9-11-14(17)12-10-13/h9-12H,5-8H2,1-4H3
InChIKeyDVZGZCUNJCYABW-UHFFFAOYSA-N
XLogP4.42
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.83
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-(4-chlorophenyl)-2-(diethylamino)-2-ethylbutan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3,4-dichlorophenyl)-2-(diethylamino)-2-ethylbutan-1-one
CID 79061193
1-(4-chlorophenyl)-2-(diethylamino)-2-methylpropan-1-one
CID 79054221
2-(diethylamino)-2-ethyl-1-(2,3,4-trifluorophenyl)butan-1-one
CID 79059380
1-(2-chloro-5-fluorophenyl)-2-(diethylamino)-2-ethylbutan-1-one
CID 105394304
(2S)-2-[(4-chlorobenzoyl)-ethylamino]-2-ethylbutanedioic acid
CID 22796477
1-(2-chloro-4-methylphenyl)-3-(diethylamino)-3-ethylpentan-2-one
CID 106867008
2-(4-chlorophenyl)-N,N-diethyl-2-oxoacetamide
CID 11310994
[(2R)-1-(4-chlorophenyl)-1-oxobutan-2-yl]azanium
CID 7393173
1-(3-chloro-4-methylphenyl)-2-(dimethylamino)-2-ethylbutan-1-one
CID 107559878
1-(4-chlorophenyl)-2-[methyl(2-methylbutan-2-yl)amino]propan-1-one
CID 63964851
1-(3-bromofuran-2-yl)-2-(diethylamino)-2-ethylbutan-1-one
CID 79062307
1-(2,5-dichlorophenyl)-2-(diethylamino)-2-methylpropan-1-one
CID 79053041

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-2-(diethylamino)-2-ethylbutan-1-one?
The IUPAC name of 1-(4-chlorophenyl)-2-(diethylamino)-2-ethylbutan-1-one (CID 79062686) is 1-(4-chlorophenyl)-2-(diethylamino)-2-ethylbutan-1-one.
What is the SMILES notation for 1-(4-chlorophenyl)-2-(diethylamino)-2-ethylbutan-1-one?
The canonical SMILES for 1-(4-chlorophenyl)-2-(diethylamino)-2-ethylbutan-1-one is CCN(CC)C(CC)(CC)C(=O)c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-2-(diethylamino)-2-ethylbutan-1-one?
The InChIKey is DVZGZCUNJCYABW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClNO/c1-5-16(6-2,18(7-3)8-4)15(19)13-9-11-14(17)12-10-13/h9-12H,5-8H2,1-4H3.
What are the key properties of 1-(4-chlorophenyl)-2-(diethylamino)-2-ethylbutan-1-one?
1-(4-chlorophenyl)-2-(diethylamino)-2-ethylbutan-1-one has a molecular weight of 281.83 g/mol, XLogP of 4.42, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-2-(diethylamino)-2-ethylbutan-1-one is sourced from PubChem (CID 79062686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).