1-(2,5-dichlorophenyl)-2-(diethylamino)-2-methylpropan-1-one

C14H19Cl2NO — CID 79053041

IUPAC1-(2,5-dichlorophenyl)-2-(diethylamino)-2-methylpropan-1-one
SMILESCCN(CC)C(C)(C)C(=O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C14H19Cl2NO/c1-5-17(6-2)14(3,4)13(18)11-9-10(15)7-8-12(11)16/h7-9H,5-6H2,1-4H3
InChIKeyBWPIUQYAPHWCAC-UHFFFAOYSA-N
MW288.22 g/mol
LogP4.30
Rot. Bonds5

About 1-(2,5-dichlorophenyl)-2-(diethylamino)-2-methylpropan-1-one

1-(2,5-dichlorophenyl)-2-(diethylamino)-2-methylpropan-1-one (PubChem CID 79053041) has the molecular formula C14H19Cl2NO and a molecular weight of 288.22 g/mol. Its IUPAC name is 1-(2,5-dichlorophenyl)-2-(diethylamino)-2-methylpropan-1-one.

Molecular Properties

Compound Name1-(2,5-dichlorophenyl)-2-(diethylamino)-2-methylpropan-1-one
PubChem CID79053041
Molecular FormulaC14H19Cl2NO
Molecular Weight288.22 g/mol
Exact Mass287.08
IUPAC Name1-(2,5-dichlorophenyl)-2-(diethylamino)-2-methylpropan-1-one
SMILESCCN(CC)C(C)(C)C(=O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C14H19Cl2NO/c1-5-17(6-2)14(3,4)13(18)11-9-10(15)7-8-12(11)16/h7-9H,5-6H2,1-4H3
InChIKeyBWPIUQYAPHWCAC-UHFFFAOYSA-N
XLogP4.30
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.22
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,5-dichlorophenyl)-2,2-dimethylbutan-1-one
CID 24724057
1-(4-chlorophenyl)-2-(diethylamino)-2-methylpropan-1-one
CID 79054221
2-amino-1-(2,5-dichlorophenyl)-2-methylbutan-1-one
CID 116590355
2,5-dichloro-N-(2-cyanobutan-2-yl)benzamide
CID 51089510
1-(2-chloro-5-fluorophenyl)-2-(diethylamino)-2-ethylbutan-1-one
CID 105394304
2-(diethylamino)-1-(2,5-dimethoxyphenyl)-2-methylpropan-1-one
CID 79053848
2-(diethylamino)-1-(4-methoxy-2-methylphenyl)-2-methylpropan-1-one
CID 79053325
N-(3-bromo-2,2-dimethylpropyl)-2,5-dichlorobenzamide
CID 115364763
2,5-dichloro-N-(3-chloro-2,2-dimethylpropyl)benzamide
CID 115364431
2,5-dichloro-N-[3-(diethylamino)propyl]benzamide
CID 2165306
2-(diethylamino)-1-(3-fluoro-4-methylphenyl)-2-methylpropan-1-one
CID 107128345
1-(2,5-dichlorophenyl)ethanone;ethane
CID 145081107

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dichlorophenyl)-2-(diethylamino)-2-methylpropan-1-one?
The IUPAC name of 1-(2,5-dichlorophenyl)-2-(diethylamino)-2-methylpropan-1-one (CID 79053041) is 1-(2,5-dichlorophenyl)-2-(diethylamino)-2-methylpropan-1-one.
What is the SMILES notation for 1-(2,5-dichlorophenyl)-2-(diethylamino)-2-methylpropan-1-one?
The canonical SMILES for 1-(2,5-dichlorophenyl)-2-(diethylamino)-2-methylpropan-1-one is CCN(CC)C(C)(C)C(=O)c1cc(Cl)ccc1Cl.
What is the InChIKey of 1-(2,5-dichlorophenyl)-2-(diethylamino)-2-methylpropan-1-one?
The InChIKey is BWPIUQYAPHWCAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19Cl2NO/c1-5-17(6-2)14(3,4)13(18)11-9-10(15)7-8-12(11)16/h7-9H,5-6H2,1-4H3.
What are the key properties of 1-(2,5-dichlorophenyl)-2-(diethylamino)-2-methylpropan-1-one?
1-(2,5-dichlorophenyl)-2-(diethylamino)-2-methylpropan-1-one has a molecular weight of 288.22 g/mol, XLogP of 4.30, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dichlorophenyl)-2-(diethylamino)-2-methylpropan-1-one is sourced from PubChem (CID 79053041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).