6-amino-1-(2,4-dichlorophenyl)-5-methylhexan-2-one

C13H17Cl2NO — CID 116607435

IUPAC6-amino-1-(2,4-dichlorophenyl)-5-methylhexan-2-one
SMILESCC(CN)CCC(=O)Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C13H17Cl2NO/c1-9(8-16)2-5-12(17)6-10-3-4-11(14)7-13(10)15/h3-4,7,9H,2,5-6,8,16H2,1H3
InChIKeyLCFUYERFZBHRMS-UHFFFAOYSA-N
MW274.19 g/mol
LogP3.48
Rot. Bonds6

About 6-amino-1-(2,4-dichlorophenyl)-5-methylhexan-2-one

6-amino-1-(2,4-dichlorophenyl)-5-methylhexan-2-one (PubChem CID 116607435) has the molecular formula C13H17Cl2NO and a molecular weight of 274.19 g/mol. Its IUPAC name is 6-amino-1-(2,4-dichlorophenyl)-5-methylhexan-2-one.

Molecular Properties

Compound Name6-amino-1-(2,4-dichlorophenyl)-5-methylhexan-2-one
PubChem CID116607435
Molecular FormulaC13H17Cl2NO
Molecular Weight274.19 g/mol
Exact Mass273.07
IUPAC Name6-amino-1-(2,4-dichlorophenyl)-5-methylhexan-2-one
SMILESCC(CN)CCC(=O)Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C13H17Cl2NO/c1-9(8-16)2-5-12(17)6-10-3-4-11(14)7-13(10)15/h3-4,7,9H,2,5-6,8,16H2,1H3
InChIKeyLCFUYERFZBHRMS-UHFFFAOYSA-N
XLogP3.48
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.19
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-amino-1-(2,4-dichlorophenyl)hexan-2-one
CID 116571543
7-amino-1-(4-bromo-2-chlorophenyl)-5-methylheptan-2-one
CID 116581614
5-amino-N-[2-(2,4-dichlorophenyl)ethyl]-4-methylpentanamide
CID 82017216
5-amino-N-(2,4-dichlorophenyl)-4-methylpentanamide
CID 82683232
4-amino-1-(2,4-dichlorophenyl)-3-methylbutan-2-one
CID 116564374
6-amino-1-(3,4-difluorophenyl)-5-methylhexan-2-one
CID 116607655
7-amino-1-(2,4-dichlorophenyl)heptan-2-one
CID 116549900
1-(2,4-dichlorophenyl)-4-methylpentan-2-one
CID 39348531
5-amino-1-(2-chloro-4-methylphenyl)hexan-2-one
CID 106871241
5-amino-1-(2,4-dichlorophenyl)-5-methylhexan-2-one
CID 116571231
3-(aminomethyl)-1-(2,4-dichlorophenyl)-5-methylhexan-2-one
CID 116597817
1-(2,4-dichlorophenyl)-4-methoxybutan-2-one
CID 62621708

Frequently Asked Questions

What is the IUPAC name of 6-amino-1-(2,4-dichlorophenyl)-5-methylhexan-2-one?
The IUPAC name of 6-amino-1-(2,4-dichlorophenyl)-5-methylhexan-2-one (CID 116607435) is 6-amino-1-(2,4-dichlorophenyl)-5-methylhexan-2-one.
What is the SMILES notation for 6-amino-1-(2,4-dichlorophenyl)-5-methylhexan-2-one?
The canonical SMILES for 6-amino-1-(2,4-dichlorophenyl)-5-methylhexan-2-one is CC(CN)CCC(=O)Cc1ccc(Cl)cc1Cl.
What is the InChIKey of 6-amino-1-(2,4-dichlorophenyl)-5-methylhexan-2-one?
The InChIKey is LCFUYERFZBHRMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17Cl2NO/c1-9(8-16)2-5-12(17)6-10-3-4-11(14)7-13(10)15/h3-4,7,9H,2,5-6,8,16H2,1H3.
What are the key properties of 6-amino-1-(2,4-dichlorophenyl)-5-methylhexan-2-one?
6-amino-1-(2,4-dichlorophenyl)-5-methylhexan-2-one has a molecular weight of 274.19 g/mol, XLogP of 3.48, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-1-(2,4-dichlorophenyl)-5-methylhexan-2-one is sourced from PubChem (CID 116607435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).