4-amino-1-(2,6-dichlorophenyl)-4-methylpentan-2-one

C12H15Cl2NO — CID 116580998

IUPAC4-amino-1-(2,6-dichlorophenyl)-4-methylpentan-2-one
SMILESCC(C)(N)CC(=O)Cc1c(Cl)cccc1Cl
InChIInChI=1S/C12H15Cl2NO/c1-12(2,15)7-8(16)6-9-10(13)4-3-5-11(9)14/h3-5H,6-7,15H2,1-2H3
InChIKeyDMWNUSJCQDVJNI-UHFFFAOYSA-N
MW260.16 g/mol
LogP3.23
Rot. Bonds4

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

4-amino-1-(2,6-dichlorophenyl)-4-methylpentan-2-one (PubChem CID 116580998) has the molecular formula C12H15Cl2NO and a molecular weight of 260.16 g/mol. Its IUPAC name is 4-amino-1-(2,6-dichlorophenyl)-4-methylpentan-2-one.

Molecular Properties

Compound Name4-amino-1-(2,6-dichlorophenyl)-4-methylpentan-2-one
PubChem CID116580998
Molecular FormulaC12H15Cl2NO
Molecular Weight260.16 g/mol
Exact Mass259.05
IUPAC Name4-amino-1-(2,6-dichlorophenyl)-4-methylpentan-2-one
SMILESCC(C)(N)CC(=O)Cc1c(Cl)cccc1Cl
InChIInChI=1S/C12H15Cl2NO/c1-12(2,15)7-8(16)6-9-10(13)4-3-5-11(9)14/h3-5H,6-7,15H2,1-2H3
InChIKeyDMWNUSJCQDVJNI-UHFFFAOYSA-N
XLogP3.23
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 ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-1-(2,6-dichlorophenyl)-4,4,4-trifluoro-3-methylbutan-2-one
CID 116592914
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CID 63409565
1-(2,6-dichlorophenyl)-4-methylpent-4-en-2-one
CID 79179750
1-(2,6-dichlorophenyl)-3-(dimethylamino)-3-methylbutan-2-one
CID 79046022
1-(2,6-dichlorophenyl)heptan-2-one
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1-(2,6-dichlorophenyl)-4-methoxybutan-2-one
CID 62620067
1-(2,6-dichlorophenyl)-5,5,5-trifluoropentan-2-one
CID 64567976
5-amino-1-(2,3-dichlorophenyl)-5-methylhexan-2-one
CID 107311350
N-(1-amino-2-methylpropan-2-yl)-2-(2,6-dichlorophenyl)acetamide
CID 119524754
N-(2-amino-2-methylpropyl)-2-(2-chloro-6-fluorophenyl)acetamide
CID 81483240
N-(2-tert-butylphenyl)-2-(2,6-dichlorophenyl)acetamide
CID 7920165
1-(2,6-dichlorophenyl)-3-(4-methyl-1,3-thiazol-2-yl)propan-2-one
CID 62795300

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-(2,6-dichlorophenyl)-4-methylpentan-2-one?
The IUPAC name of 4-amino-1-(2,6-dichlorophenyl)-4-methylpentan-2-one (CID 116580998) is 4-amino-1-(2,6-dichlorophenyl)-4-methylpentan-2-one.
What is the SMILES notation for 4-amino-1-(2,6-dichlorophenyl)-4-methylpentan-2-one?
The canonical SMILES for 4-amino-1-(2,6-dichlorophenyl)-4-methylpentan-2-one is CC(C)(N)CC(=O)Cc1c(Cl)cccc1Cl.
What is the InChIKey of 4-amino-1-(2,6-dichlorophenyl)-4-methylpentan-2-one?
The InChIKey is DMWNUSJCQDVJNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15Cl2NO/c1-12(2,15)7-8(16)6-9-10(13)4-3-5-11(9)14/h3-5H,6-7,15H2,1-2H3.
What are the key properties of 4-amino-1-(2,6-dichlorophenyl)-4-methylpentan-2-one?
4-amino-1-(2,6-dichlorophenyl)-4-methylpentan-2-one has a molecular weight of 260.16 g/mol, XLogP of 3.23, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-(2,6-dichlorophenyl)-4-methylpentan-2-one is sourced from PubChem (CID 116580998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).