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

C12H15Cl2NO — CID 116571543

IUPAC5-amino-1-(2,4-dichlorophenyl)hexan-2-one
SMILESCC(N)CCC(=O)Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C12H15Cl2NO/c1-8(15)2-5-11(16)6-9-3-4-10(13)7-12(9)14/h3-4,7-8H,2,5-6,15H2,1H3
InChIKeyIKBWBNVODOMQSF-UHFFFAOYSA-N
MW260.16 g/mol
LogP3.23
Rot. Bonds5

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

5-amino-1-(2,4-dichlorophenyl)hexan-2-one (PubChem CID 116571543) has the molecular formula C12H15Cl2NO and a molecular weight of 260.16 g/mol. Its IUPAC name is 5-amino-1-(2,4-dichlorophenyl)hexan-2-one.

Molecular Properties

Compound Name5-amino-1-(2,4-dichlorophenyl)hexan-2-one
PubChem CID116571543
Molecular FormulaC12H15Cl2NO
Molecular Weight260.16 g/mol
Exact Mass259.05
IUPAC Name5-amino-1-(2,4-dichlorophenyl)hexan-2-one
SMILESCC(N)CCC(=O)Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C12H15Cl2NO/c1-8(15)2-5-11(16)6-9-3-4-10(13)7-12(9)14/h3-4,7-8H,2,5-6,15H2,1H3
InChIKeyIKBWBNVODOMQSF-UHFFFAOYSA-N
XLogP3.23
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.16
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-amino-1-(2-chloro-4-methylphenyl)hexan-2-one
CID 106871241
6-amino-1-(2,4-dichlorophenyl)-5-methylhexan-2-one
CID 116607435
4-amino-N-[1-(2,4-dichlorophenyl)propan-2-yl]pentanamide;hydrochloride
CID 120561607
1-(2,4-dichlorophenyl)-4-methylpentan-2-one
CID 39348531
4-amino-1-(2,4-dichlorophenyl)-3-methylpentan-2-one
CID 116612120
4-amino-1-(2,5-dichlorophenyl)pentan-1-one
CID 116571674
7-amino-1-(4-bromo-2-chlorophenyl)-5-methylheptan-2-one
CID 116581614
1-(2,4-dichlorophenyl)-4,5,5-trimethylhexan-2-one
CID 114967176
5-amino-1-(2,4-dichlorophenyl)-5-methylhexan-2-one
CID 116571231
1-(2,4-dichlorophenyl)-4-methoxybutan-2-one
CID 62621708
7-amino-1-(2,4-dichlorophenyl)heptan-2-one
CID 116549900
3-amino-1-(2,4-dichlorophenyl)-5-methylhexan-2-one
CID 116553435

Frequently Asked Questions

What is the IUPAC name of 5-amino-1-(2,4-dichlorophenyl)hexan-2-one?
The IUPAC name of 5-amino-1-(2,4-dichlorophenyl)hexan-2-one (CID 116571543) is 5-amino-1-(2,4-dichlorophenyl)hexan-2-one.
What is the SMILES notation for 5-amino-1-(2,4-dichlorophenyl)hexan-2-one?
The canonical SMILES for 5-amino-1-(2,4-dichlorophenyl)hexan-2-one is CC(N)CCC(=O)Cc1ccc(Cl)cc1Cl.
What is the InChIKey of 5-amino-1-(2,4-dichlorophenyl)hexan-2-one?
The InChIKey is IKBWBNVODOMQSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15Cl2NO/c1-8(15)2-5-11(16)6-9-3-4-10(13)7-12(9)14/h3-4,7-8H,2,5-6,15H2,1H3.
What are the key properties of 5-amino-1-(2,4-dichlorophenyl)hexan-2-one?
5-amino-1-(2,4-dichlorophenyl)hexan-2-one has a molecular weight of 260.16 g/mol, XLogP of 3.23, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-(2,4-dichlorophenyl)hexan-2-one is sourced from PubChem (CID 116571543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).