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

C10H11Cl2NO — CID 116564611

IUPAC3-amino-1-(3,4-dichlorophenyl)-2-methylpropan-1-one
SMILESCC(CN)C(=O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C10H11Cl2NO/c1-6(5-13)10(14)7-2-3-8(11)9(12)4-7/h2-4,6H,5,13H2,1H3
InChIKeyUDJAADDRZVNOGB-UHFFFAOYSA-N
MW232.11 g/mol
LogP2.77
Rot. Bonds3

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

3-amino-1-(3,4-dichlorophenyl)-2-methylpropan-1-one (PubChem CID 116564611) has the molecular formula C10H11Cl2NO and a molecular weight of 232.11 g/mol. Its IUPAC name is 3-amino-1-(3,4-dichlorophenyl)-2-methylpropan-1-one.

Molecular Properties

Compound Name3-amino-1-(3,4-dichlorophenyl)-2-methylpropan-1-one
PubChem CID116564611
Molecular FormulaC10H11Cl2NO
Molecular Weight232.11 g/mol
Exact Mass231.02
IUPAC Name3-amino-1-(3,4-dichlorophenyl)-2-methylpropan-1-one
SMILESCC(CN)C(=O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C10H11Cl2NO/c1-6(5-13)10(14)7-2-3-8(11)9(12)4-7/h2-4,6H,5,13H2,1H3
InChIKeyUDJAADDRZVNOGB-UHFFFAOYSA-N
XLogP2.77
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.11
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,4-dichlorophenyl)-2-methylbutan-1-one
CID 43344477
2-amino-1-(3,4-dichlorophenyl)-4-methylpentan-1-one
CID 116553625
N-(3-amino-2-methylpropyl)-3,4-dichlorobenzamide
CID 115267427
1-(3,4-dichlorophenyl)-2-(hydroxymethyl)-3-methylbutan-1-one
CID 116923350
1-(4-chloro-3-fluorophenyl)-2-methylpentan-1-one
CID 107996960
1-(3-chloro-4-iodophenyl)-2-methylpentan-1-one
CID 107891422
1-(3,4-dichlorophenyl)-2,2-diethoxyethanone
CID 79495539
2-amino-1-(3,4-dichlorophenyl)-3,3-dimethylbutan-1-one
CID 116611550
4-amino-1-(4-chloro-3-methoxyphenyl)-2-methylbutan-1-one
CID 116594998
methyl 2-amino-3-(3,4-dichlorophenyl)-3-oxopropanoate
CID 68768648
2-methylpropyl 3,4-dichlorobenzoate
CID 82186391
1-(4-amino-3-chlorophenyl)-4-methoxy-2-methylbutan-1-one
CID 116581862

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(3,4-dichlorophenyl)-2-methylpropan-1-one?
The IUPAC name of 3-amino-1-(3,4-dichlorophenyl)-2-methylpropan-1-one (CID 116564611) is 3-amino-1-(3,4-dichlorophenyl)-2-methylpropan-1-one.
What is the SMILES notation for 3-amino-1-(3,4-dichlorophenyl)-2-methylpropan-1-one?
The canonical SMILES for 3-amino-1-(3,4-dichlorophenyl)-2-methylpropan-1-one is CC(CN)C(=O)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 3-amino-1-(3,4-dichlorophenyl)-2-methylpropan-1-one?
The InChIKey is UDJAADDRZVNOGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11Cl2NO/c1-6(5-13)10(14)7-2-3-8(11)9(12)4-7/h2-4,6H,5,13H2,1H3.
What are the key properties of 3-amino-1-(3,4-dichlorophenyl)-2-methylpropan-1-one?
3-amino-1-(3,4-dichlorophenyl)-2-methylpropan-1-one has a molecular weight of 232.11 g/mol, XLogP of 2.77, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(3,4-dichlorophenyl)-2-methylpropan-1-one is sourced from PubChem (CID 116564611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).