1-(3,4-dichlorophenyl)-2-(diethylamino)-2-ethylbutan-1-one

C16H23Cl2NO — CID 79061193

IUPAC1-(3,4-dichlorophenyl)-2-(diethylamino)-2-ethylbutan-1-one
SMILESCCN(CC)C(CC)(CC)C(=O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C16H23Cl2NO/c1-5-16(6-2,19(7-3)8-4)15(20)12-9-10-13(17)14(18)11-12/h9-11H,5-8H2,1-4H3
InChIKeyUAZKCTNRKSGQTP-UHFFFAOYSA-N
MW316.27 g/mol
LogP5.08
Rot. Bonds7

About 1-(3,4-dichlorophenyl)-2-(diethylamino)-2-ethylbutan-1-one

1-(3,4-dichlorophenyl)-2-(diethylamino)-2-ethylbutan-1-one (PubChem CID 79061193) has the molecular formula C16H23Cl2NO and a molecular weight of 316.27 g/mol. Its IUPAC name is 1-(3,4-dichlorophenyl)-2-(diethylamino)-2-ethylbutan-1-one.

Molecular Properties

Compound Name1-(3,4-dichlorophenyl)-2-(diethylamino)-2-ethylbutan-1-one
PubChem CID79061193
Molecular FormulaC16H23Cl2NO
Molecular Weight316.27 g/mol
Exact Mass315.12
IUPAC Name1-(3,4-dichlorophenyl)-2-(diethylamino)-2-ethylbutan-1-one
SMILESCCN(CC)C(CC)(CC)C(=O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C16H23Cl2NO/c1-5-16(6-2,19(7-3)8-4)15(20)12-9-10-13(17)14(18)11-12/h9-11H,5-8H2,1-4H3
InChIKeyUAZKCTNRKSGQTP-UHFFFAOYSA-N
XLogP5.08
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500316.27
LogP ≤ 55.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-chlorophenyl)-2-(diethylamino)-2-ethylbutan-1-one
CID 79062686
1-(3,4-dichlorophenyl)-2,2-dimethylbutan-1-one
CID 24724058
1-(2-chloro-5-fluorophenyl)-2-(diethylamino)-2-ethylbutan-1-one
CID 105394304
1-(3-chloro-4-methylphenyl)-2-(dimethylamino)-2-ethylbutan-1-one
CID 107559878
1-(2-chloro-4-methylphenyl)-3-(diethylamino)-3-ethylpentan-2-one
CID 106867008
1-(3,4-dichlorophenyl)-3-(dimethylamino)-3-ethylpentan-2-one
CID 79062065
1-(3,4-dichlorophenyl)-2-methoxy-2-methylpropan-1-one
CID 79198318
2-[(3,4-dichlorobenzoyl)-ethylamino]acetic acid
CID 54901166
1-(3,4-dichlorophenyl)-2,2-diethoxyethanone
CID 79495539
1-(3,4-dichlorophenyl)-3,3-dimethylbutan-1-one
CID 24724011
3,4-dichloro-N-[2-(dimethylamino)-2-oxoethyl]-N-ethylbenzamide
CID 56812632
2-[benzyl(ethyl)amino]-1-(3,4-dichlorophenyl)ethanone
CID 60649875

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dichlorophenyl)-2-(diethylamino)-2-ethylbutan-1-one?
The IUPAC name of 1-(3,4-dichlorophenyl)-2-(diethylamino)-2-ethylbutan-1-one (CID 79061193) is 1-(3,4-dichlorophenyl)-2-(diethylamino)-2-ethylbutan-1-one.
What is the SMILES notation for 1-(3,4-dichlorophenyl)-2-(diethylamino)-2-ethylbutan-1-one?
The canonical SMILES for 1-(3,4-dichlorophenyl)-2-(diethylamino)-2-ethylbutan-1-one is CCN(CC)C(CC)(CC)C(=O)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 1-(3,4-dichlorophenyl)-2-(diethylamino)-2-ethylbutan-1-one?
The InChIKey is UAZKCTNRKSGQTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23Cl2NO/c1-5-16(6-2,19(7-3)8-4)15(20)12-9-10-13(17)14(18)11-12/h9-11H,5-8H2,1-4H3.
What are the key properties of 1-(3,4-dichlorophenyl)-2-(diethylamino)-2-ethylbutan-1-one?
1-(3,4-dichlorophenyl)-2-(diethylamino)-2-ethylbutan-1-one has a molecular weight of 316.27 g/mol, XLogP of 5.08, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dichlorophenyl)-2-(diethylamino)-2-ethylbutan-1-one is sourced from PubChem (CID 79061193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).