5-amino-1-(2,3-dichlorophenyl)-5-methylhexan-2-one

C13H17Cl2NO — CID 107311350

IUPAC5-amino-1-(2,3-dichlorophenyl)-5-methylhexan-2-one
SMILESCC(C)(N)CCC(=O)Cc1cccc(Cl)c1Cl
InChIInChI=1S/C13H17Cl2NO/c1-13(2,16)7-6-10(17)8-9-4-3-5-11(14)12(9)15/h3-5H,6-8,16H2,1-2H3
InChIKeyHVZJKEMTOHDWNC-UHFFFAOYSA-N
MW274.19 g/mol
LogP3.62
Rot. Bonds5

About 5-amino-1-(2,3-dichlorophenyl)-5-methylhexan-2-one

5-amino-1-(2,3-dichlorophenyl)-5-methylhexan-2-one (PubChem CID 107311350) has the molecular formula C13H17Cl2NO and a molecular weight of 274.19 g/mol. Its IUPAC name is 5-amino-1-(2,3-dichlorophenyl)-5-methylhexan-2-one.

Molecular Properties

Compound Name5-amino-1-(2,3-dichlorophenyl)-5-methylhexan-2-one
PubChem CID107311350
Molecular FormulaC13H17Cl2NO
Molecular Weight274.19 g/mol
Exact Mass273.07
IUPAC Name5-amino-1-(2,3-dichlorophenyl)-5-methylhexan-2-one
SMILESCC(C)(N)CCC(=O)Cc1cccc(Cl)c1Cl
InChIInChI=1S/C13H17Cl2NO/c1-13(2,16)7-6-10(17)8-9-4-3-5-11(14)12(9)15/h3-5H,6-8,16H2,1-2H3
InChIKeyHVZJKEMTOHDWNC-UHFFFAOYSA-N
XLogP3.62
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.19
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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5-amino-1-(2-fluoro-3-methoxyphenyl)-5-methylhexan-2-one
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5-amino-5-methyl-1-(3-methylphenyl)hexan-2-one
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4-amino-1-(2,6-dichlorophenyl)-4-methylpentan-2-one
CID 116580998
5-amino-1-(2,3-dichlorophenyl)-5-phenylpentan-2-one
CID 107311348
ethyl 4-(2,3-dichlorophenyl)-2,2-dimethylbutanoate
CID 58488980
2-[(2,3-dichlorophenyl)methylamino]-2-methylpropanamide
CID 61219594
2-amino-N-[(2,3-dichlorophenyl)methyl]-N,2-dimethylpentanamide;hydrochloride
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Frequently Asked Questions

What is the IUPAC name of 5-amino-1-(2,3-dichlorophenyl)-5-methylhexan-2-one?
The IUPAC name of 5-amino-1-(2,3-dichlorophenyl)-5-methylhexan-2-one (CID 107311350) is 5-amino-1-(2,3-dichlorophenyl)-5-methylhexan-2-one.
What is the SMILES notation for 5-amino-1-(2,3-dichlorophenyl)-5-methylhexan-2-one?
The canonical SMILES for 5-amino-1-(2,3-dichlorophenyl)-5-methylhexan-2-one is CC(C)(N)CCC(=O)Cc1cccc(Cl)c1Cl.
What is the InChIKey of 5-amino-1-(2,3-dichlorophenyl)-5-methylhexan-2-one?
The InChIKey is HVZJKEMTOHDWNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17Cl2NO/c1-13(2,16)7-6-10(17)8-9-4-3-5-11(14)12(9)15/h3-5H,6-8,16H2,1-2H3.
What are the key properties of 5-amino-1-(2,3-dichlorophenyl)-5-methylhexan-2-one?
5-amino-1-(2,3-dichlorophenyl)-5-methylhexan-2-one has a molecular weight of 274.19 g/mol, XLogP of 3.62, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-(2,3-dichlorophenyl)-5-methylhexan-2-one is sourced from PubChem (CID 107311350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).