2-amino-1-(2,5-dichlorophenyl)-2-methylbutan-1-one

C11H13Cl2NO — CID 116590355

IUPAC2-amino-1-(2,5-dichlorophenyl)-2-methylbutan-1-one
SMILESCCC(C)(N)C(=O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C11H13Cl2NO/c1-3-11(2,14)10(15)8-6-7(12)4-5-9(8)13/h4-6H,3,14H2,1-2H3
InChIKeyKZOBWVPLYKKFPE-UHFFFAOYSA-N
MW246.14 g/mol
LogP3.30
Rot. Bonds3

About 2-amino-1-(2,5-dichlorophenyl)-2-methylbutan-1-one

2-amino-1-(2,5-dichlorophenyl)-2-methylbutan-1-one (PubChem CID 116590355) has the molecular formula C11H13Cl2NO and a molecular weight of 246.14 g/mol. Its IUPAC name is 2-amino-1-(2,5-dichlorophenyl)-2-methylbutan-1-one.

Molecular Properties

Compound Name2-amino-1-(2,5-dichlorophenyl)-2-methylbutan-1-one
PubChem CID116590355
Molecular FormulaC11H13Cl2NO
Molecular Weight246.14 g/mol
Exact Mass245.04
IUPAC Name2-amino-1-(2,5-dichlorophenyl)-2-methylbutan-1-one
SMILESCCC(C)(N)C(=O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C11H13Cl2NO/c1-3-11(2,14)10(15)8-6-7(12)4-5-9(8)13/h4-6H,3,14H2,1-2H3
InChIKeyKZOBWVPLYKKFPE-UHFFFAOYSA-N
XLogP3.30
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.14
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-1-(4-chloro-2-fluorophenyl)-2-methylbutan-1-one
CID 116590524
1-(2,5-dichlorophenyl)-2,2-dimethylbutan-1-one
CID 24724057
1-(2,5-dichlorophenyl)-2-(diethylamino)-2-methylpropan-1-one
CID 79053041
2-amino-1-(2,4-difluorophenyl)-2-methylbutan-1-one
CID 116590314
2-amino-1-(3,4-difluorophenyl)-2-methylbutan-1-one
CID 116590230
2-amino-1-(2-chlorophenyl)-2-methylpentan-1-one
CID 116556904
2-amino-N-[(2,4-dichlorophenyl)methyl]-N,2-dimethylbutanamide
CID 79805049
(2S)-2-(2,5-dichlorophenyl)butan-2-amine
CID 130054976
propyl 2,5-dichlorobenzoate
CID 43389536
2,5-dichloro-N-(3-chloro-2,2-dimethylpropyl)benzamide
CID 115364431
2-amino-1-(4-fluoro-2-methylphenyl)-2-methylbutan-1-one
CID 116590511
2,5-dichloro-N-(2-cyanobutan-2-yl)benzamide
CID 51089510

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(2,5-dichlorophenyl)-2-methylbutan-1-one?
The IUPAC name of 2-amino-1-(2,5-dichlorophenyl)-2-methylbutan-1-one (CID 116590355) is 2-amino-1-(2,5-dichlorophenyl)-2-methylbutan-1-one.
What is the SMILES notation for 2-amino-1-(2,5-dichlorophenyl)-2-methylbutan-1-one?
The canonical SMILES for 2-amino-1-(2,5-dichlorophenyl)-2-methylbutan-1-one is CCC(C)(N)C(=O)c1cc(Cl)ccc1Cl.
What is the InChIKey of 2-amino-1-(2,5-dichlorophenyl)-2-methylbutan-1-one?
The InChIKey is KZOBWVPLYKKFPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13Cl2NO/c1-3-11(2,14)10(15)8-6-7(12)4-5-9(8)13/h4-6H,3,14H2,1-2H3.
What are the key properties of 2-amino-1-(2,5-dichlorophenyl)-2-methylbutan-1-one?
2-amino-1-(2,5-dichlorophenyl)-2-methylbutan-1-one has a molecular weight of 246.14 g/mol, XLogP of 3.30, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(2,5-dichlorophenyl)-2-methylbutan-1-one is sourced from PubChem (CID 116590355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).