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

C13H17Cl2NO — CID 116606347

IUPAC4-amino-1-(2,5-dichlorophenyl)-5-methylhexan-2-one
SMILESCC(C)C(N)CC(=O)Cc1cc(Cl)ccc1Cl
InChIInChI=1S/C13H17Cl2NO/c1-8(2)13(16)7-11(17)6-9-5-10(14)3-4-12(9)15/h3-5,8,13H,6-7,16H2,1-2H3
InChIKeyURJRJRIOMSNVCF-UHFFFAOYSA-N
MW274.19 g/mol
LogP3.48
Rot. Bonds5

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

4-amino-1-(2,5-dichlorophenyl)-5-methylhexan-2-one (PubChem CID 116606347) has the molecular formula C13H17Cl2NO and a molecular weight of 274.19 g/mol. Its IUPAC name is 4-amino-1-(2,5-dichlorophenyl)-5-methylhexan-2-one.

Molecular Properties

Compound Name4-amino-1-(2,5-dichlorophenyl)-5-methylhexan-2-one
PubChem CID116606347
Molecular FormulaC13H17Cl2NO
Molecular Weight274.19 g/mol
Exact Mass273.07
IUPAC Name4-amino-1-(2,5-dichlorophenyl)-5-methylhexan-2-one
SMILESCC(C)C(N)CC(=O)Cc1cc(Cl)ccc1Cl
InChIInChI=1S/C13H17Cl2NO/c1-8(2)13(16)7-11(17)6-9-5-10(14)3-4-12(9)15/h3-5,8,13H,6-7,16H2,1-2H3
InChIKeyURJRJRIOMSNVCF-UHFFFAOYSA-N
XLogP3.48
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 ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,5-dichlorophenyl)-4,5,5-trimethylhexan-2-one
CID 114973862
4-amino-1-(2,5-dichlorophenyl)heptan-2-one
CID 116607917
4-amino-1-(3-chlorophenyl)-5-methylhexan-2-one
CID 116606295
3-amino-1-(2,5-dichlorophenyl)pentan-2-one
CID 116584058
5-amino-1-(2,5-dichlorophenyl)pentan-2-one
CID 116553318
1-(2,5-dichlorophenyl)-3-propan-2-yloxypropan-2-one
CID 105102601
1-(2,4-dichlorophenyl)-4,5,5-trimethylhexan-2-one
CID 114967176
4-amino-1-(3-chloro-2-fluorophenyl)-5-methylhexan-2-one
CID 102865298
4-amino-1-(2,4-difluorophenyl)-5-methylhexan-2-one
CID 116606369
1-(2,4-dichlorophenyl)-4-methylpentan-2-one
CID 39348531
4-amino-1-(5-chloro-2-fluorophenyl)hexan-2-one
CID 103052461
4-amino-1-(3-bromo-4-fluorophenyl)-5-methylhexan-2-one
CID 116606300

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-(2,5-dichlorophenyl)-5-methylhexan-2-one?
The IUPAC name of 4-amino-1-(2,5-dichlorophenyl)-5-methylhexan-2-one (CID 116606347) is 4-amino-1-(2,5-dichlorophenyl)-5-methylhexan-2-one.
What is the SMILES notation for 4-amino-1-(2,5-dichlorophenyl)-5-methylhexan-2-one?
The canonical SMILES for 4-amino-1-(2,5-dichlorophenyl)-5-methylhexan-2-one is CC(C)C(N)CC(=O)Cc1cc(Cl)ccc1Cl.
What is the InChIKey of 4-amino-1-(2,5-dichlorophenyl)-5-methylhexan-2-one?
The InChIKey is URJRJRIOMSNVCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17Cl2NO/c1-8(2)13(16)7-11(17)6-9-5-10(14)3-4-12(9)15/h3-5,8,13H,6-7,16H2,1-2H3.
What are the key properties of 4-amino-1-(2,5-dichlorophenyl)-5-methylhexan-2-one?
4-amino-1-(2,5-dichlorophenyl)-5-methylhexan-2-one has a molecular weight of 274.19 g/mol, XLogP of 3.48, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-(2,5-dichlorophenyl)-5-methylhexan-2-one is sourced from PubChem (CID 116606347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).