4-amino-1-(2,4-dichlorophenyl)-3-methylpentan-2-one

C12H15Cl2NO — CID 116612120

IUPAC4-amino-1-(2,4-dichlorophenyl)-3-methylpentan-2-one
SMILESCC(N)C(C)C(=O)Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C12H15Cl2NO/c1-7(8(2)15)12(16)5-9-3-4-10(13)6-11(9)14/h3-4,6-8H,5,15H2,1-2H3
InChIKeyITDZVWCLXIZVTA-UHFFFAOYSA-N
MW260.16 g/mol
LogP3.09
Rot. Bonds4

About 4-amino-1-(2,4-dichlorophenyl)-3-methylpentan-2-one

4-amino-1-(2,4-dichlorophenyl)-3-methylpentan-2-one (PubChem CID 116612120) has the molecular formula C12H15Cl2NO and a molecular weight of 260.16 g/mol. Its IUPAC name is 4-amino-1-(2,4-dichlorophenyl)-3-methylpentan-2-one.

Molecular Properties

Compound Name4-amino-1-(2,4-dichlorophenyl)-3-methylpentan-2-one
PubChem CID116612120
Molecular FormulaC12H15Cl2NO
Molecular Weight260.16 g/mol
Exact Mass259.05
IUPAC Name4-amino-1-(2,4-dichlorophenyl)-3-methylpentan-2-one
SMILESCC(N)C(C)C(=O)Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C12H15Cl2NO/c1-7(8(2)15)12(16)5-9-3-4-10(13)6-11(9)14/h3-4,6-8H,5,15H2,1-2H3
InChIKeyITDZVWCLXIZVTA-UHFFFAOYSA-N
XLogP3.09
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.16
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-1-(2,4-dichlorophenyl)-5-methylhexan-2-one
CID 116553435
4-amino-1-(2,4-dichlorophenyl)-3-methylbutan-2-one
CID 116564374
1-(2,4-dichlorophenyl)-3-hydroxy-4-methylpentan-2-one
CID 103455227
5-amino-1-(2,4-dichlorophenyl)hexan-2-one
CID 116571543
3-(aminomethyl)-1-(2,4-dichlorophenyl)-5-methylhexan-2-one
CID 116597817
1-(2,4-dichlorophenyl)-3-methyl-4-(methylamino)butan-2-one
CID 116586741
1-(2,4-dichlorophenyl)-4-methylpentan-2-one
CID 39348531
1-(2,4-dichlorophenyl)-4,5,5-trimethylhexan-2-one
CID 114967176
(Z)-3-[(2,4-dichlorophenyl)methyl]-4-methylpent-2-enoic acid
CID 82093437
4-(2,4-dichlorophenyl)-2,3-dimethylbutanoic acid
CID 81008936
6-amino-1-(2,4-dichlorophenyl)-5-methylhexan-2-one
CID 116607435
2-(2,4-dichlorophenyl)-N-methylacetohydrazide
CID 116844869

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-(2,4-dichlorophenyl)-3-methylpentan-2-one?
The IUPAC name of 4-amino-1-(2,4-dichlorophenyl)-3-methylpentan-2-one (CID 116612120) is 4-amino-1-(2,4-dichlorophenyl)-3-methylpentan-2-one.
What is the SMILES notation for 4-amino-1-(2,4-dichlorophenyl)-3-methylpentan-2-one?
The canonical SMILES for 4-amino-1-(2,4-dichlorophenyl)-3-methylpentan-2-one is CC(N)C(C)C(=O)Cc1ccc(Cl)cc1Cl.
What is the InChIKey of 4-amino-1-(2,4-dichlorophenyl)-3-methylpentan-2-one?
The InChIKey is ITDZVWCLXIZVTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15Cl2NO/c1-7(8(2)15)12(16)5-9-3-4-10(13)6-11(9)14/h3-4,6-8H,5,15H2,1-2H3.
What are the key properties of 4-amino-1-(2,4-dichlorophenyl)-3-methylpentan-2-one?
4-amino-1-(2,4-dichlorophenyl)-3-methylpentan-2-one has a molecular weight of 260.16 g/mol, XLogP of 3.09, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-(2,4-dichlorophenyl)-3-methylpentan-2-one is sourced from PubChem (CID 116612120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).