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

C12H15Cl2NO — CID 116611550

IUPAC2-amino-1-(3,4-dichlorophenyl)-3,3-dimethylbutan-1-one
SMILESCC(C)(C)C(N)C(=O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C12H15Cl2NO/c1-12(2,3)11(15)10(16)7-4-5-8(13)9(14)6-7/h4-6,11H,15H2,1-3H3
InChIKeyUMYVIIFOPCXDGA-UHFFFAOYSA-N
MW260.16 g/mol
LogP3.55
Rot. Bonds2

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

2-amino-1-(3,4-dichlorophenyl)-3,3-dimethylbutan-1-one (PubChem CID 116611550) has the molecular formula C12H15Cl2NO and a molecular weight of 260.16 g/mol. Its IUPAC name is 2-amino-1-(3,4-dichlorophenyl)-3,3-dimethylbutan-1-one.

Molecular Properties

Compound Name2-amino-1-(3,4-dichlorophenyl)-3,3-dimethylbutan-1-one
PubChem CID116611550
Molecular FormulaC12H15Cl2NO
Molecular Weight260.16 g/mol
Exact Mass259.05
IUPAC Name2-amino-1-(3,4-dichlorophenyl)-3,3-dimethylbutan-1-one
SMILESCC(C)(C)C(N)C(=O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C12H15Cl2NO/c1-12(2,3)11(15)10(16)7-4-5-8(13)9(14)6-7/h4-6,11H,15H2,1-3H3
InChIKeyUMYVIIFOPCXDGA-UHFFFAOYSA-N
XLogP3.55
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.16
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 2-amino-3-(3,4-dichlorophenyl)-3-oxopropanoate
CID 68768648
tert-butyl 3-(3,4-dichlorophenyl)-2-methyl-3-oxopropanoate
CID 81491684
methyl 2-amino-3-(3,4-dichlorophenyl)-3-oxopropanoate;hydrochloride
CID 68768647
2-amino-1-(3,4-dichlorophenyl)-4-methylpentan-1-one
CID 116553625
3-amino-1-(3,4-dichlorophenyl)-2-methylpropan-1-one
CID 116564611
2-(tert-butylamino)-1-(3,4-dichlorophenyl)propan-1-one;hydrochloride
CID 71314367
2-amino-N-(3,4-dichlorophenyl)-3,3-dimethylbutanamide
CID 70963721
1-(3,4-dichlorophenyl)-2-(hydroxymethyl)-3-methylbutan-1-one
CID 116923350
2-amino-1-(3,4-dichlorophenyl)hexan-1-one
CID 116556832
1-(3,4-dichlorophenyl)-2-methylbutan-1-one
CID 43344477
methyl 3-amino-4-(3,4-dichlorophenyl)-4-oxobutanoate
CID 82349249
2-amino-1-(3,5-difluorophenyl)-3,3-dimethylbutan-1-one
CID 116611562

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(3,4-dichlorophenyl)-3,3-dimethylbutan-1-one?
The IUPAC name of 2-amino-1-(3,4-dichlorophenyl)-3,3-dimethylbutan-1-one (CID 116611550) is 2-amino-1-(3,4-dichlorophenyl)-3,3-dimethylbutan-1-one.
What is the SMILES notation for 2-amino-1-(3,4-dichlorophenyl)-3,3-dimethylbutan-1-one?
The canonical SMILES for 2-amino-1-(3,4-dichlorophenyl)-3,3-dimethylbutan-1-one is CC(C)(C)C(N)C(=O)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 2-amino-1-(3,4-dichlorophenyl)-3,3-dimethylbutan-1-one?
The InChIKey is UMYVIIFOPCXDGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15Cl2NO/c1-12(2,3)11(15)10(16)7-4-5-8(13)9(14)6-7/h4-6,11H,15H2,1-3H3.
What are the key properties of 2-amino-1-(3,4-dichlorophenyl)-3,3-dimethylbutan-1-one?
2-amino-1-(3,4-dichlorophenyl)-3,3-dimethylbutan-1-one has a molecular weight of 260.16 g/mol, XLogP of 3.55, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(3,4-dichlorophenyl)-3,3-dimethylbutan-1-one is sourced from PubChem (CID 116611550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).