1-(2,6-dichlorophenyl)-3-(dimethylamino)-3-methylbutan-2-one

C13H17Cl2NO — CID 79046022

IUPAC1-(2,6-dichlorophenyl)-3-(dimethylamino)-3-methylbutan-2-one
SMILESCN(C)C(C)(C)C(=O)Cc1c(Cl)cccc1Cl
InChIInChI=1S/C13H17Cl2NO/c1-13(2,16(3)4)12(17)8-9-10(14)6-5-7-11(9)15/h5-7H,8H2,1-4H3
InChIKeyRFDCJVSEOCILEX-UHFFFAOYSA-N
MW274.19 g/mol
LogP3.45
Rot. Bonds4

About 1-(2,6-dichlorophenyl)-3-(dimethylamino)-3-methylbutan-2-one

1-(2,6-dichlorophenyl)-3-(dimethylamino)-3-methylbutan-2-one (PubChem CID 79046022) has the molecular formula C13H17Cl2NO and a molecular weight of 274.19 g/mol. Its IUPAC name is 1-(2,6-dichlorophenyl)-3-(dimethylamino)-3-methylbutan-2-one.

Molecular Properties

Compound Name1-(2,6-dichlorophenyl)-3-(dimethylamino)-3-methylbutan-2-one
PubChem CID79046022
Molecular FormulaC13H17Cl2NO
Molecular Weight274.19 g/mol
Exact Mass273.07
IUPAC Name1-(2,6-dichlorophenyl)-3-(dimethylamino)-3-methylbutan-2-one
SMILESCN(C)C(C)(C)C(=O)Cc1c(Cl)cccc1Cl
InChIInChI=1S/C13H17Cl2NO/c1-13(2,16(3)4)12(17)8-9-10(14)6-5-7-11(9)15/h5-7H,8H2,1-4H3
InChIKeyRFDCJVSEOCILEX-UHFFFAOYSA-N
XLogP3.45
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.19
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-1-(2,6-dichlorophenyl)-4,4,4-trifluoro-3-methylbutan-2-one
CID 116592914
2-(2,6-dichlorophenyl)-N-(1-hydroxy-2-methylpropan-2-yl)-N-methylacetamide
CID 113476141
4-amino-1-(2,6-dichlorophenyl)-4-methylpentan-2-one
CID 116580998
1-(3-chloro-4-pyridinyl)-3-(dimethylamino)-3-methylbutan-2-one
CID 79047726
1-(2-chloro-4-fluorophenyl)-3-(dimethylamino)-3-methylbutan-2-one
CID 79047987
1-(2,6-dichlorophenyl)-4,4-dimethylpentan-3-one
CID 43370354
N-[(2-chlorophenyl)methyl]-2-(dimethylamino)-2-methylpropanamide
CID 71847666
2-[[2-(2,6-dichlorophenyl)acetyl]-[2-(dimethylamino)ethyl]amino]acetic acid
CID 103802737
sodium 2-(2,6-dichlorophenyl)acetate
CID 153409108
N-(1-amino-2-methylpropan-2-yl)-2-(2,6-dichlorophenyl)acetamide
CID 119524754
2-[(2,3-dichlorophenyl)methyl-methylamino]-2-methylpropanoic acid
CID 65060982
2-(2,6-dichlorophenyl)-1-[1-(dimethylamino)cycloheptyl]ethanone
CID 79063235

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dichlorophenyl)-3-(dimethylamino)-3-methylbutan-2-one?
The IUPAC name of 1-(2,6-dichlorophenyl)-3-(dimethylamino)-3-methylbutan-2-one (CID 79046022) is 1-(2,6-dichlorophenyl)-3-(dimethylamino)-3-methylbutan-2-one.
What is the SMILES notation for 1-(2,6-dichlorophenyl)-3-(dimethylamino)-3-methylbutan-2-one?
The canonical SMILES for 1-(2,6-dichlorophenyl)-3-(dimethylamino)-3-methylbutan-2-one is CN(C)C(C)(C)C(=O)Cc1c(Cl)cccc1Cl.
What is the InChIKey of 1-(2,6-dichlorophenyl)-3-(dimethylamino)-3-methylbutan-2-one?
The InChIKey is RFDCJVSEOCILEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17Cl2NO/c1-13(2,16(3)4)12(17)8-9-10(14)6-5-7-11(9)15/h5-7H,8H2,1-4H3.
What are the key properties of 1-(2,6-dichlorophenyl)-3-(dimethylamino)-3-methylbutan-2-one?
1-(2,6-dichlorophenyl)-3-(dimethylamino)-3-methylbutan-2-one has a molecular weight of 274.19 g/mol, XLogP of 3.45, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dichlorophenyl)-3-(dimethylamino)-3-methylbutan-2-one is sourced from PubChem (CID 79046022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).