1-[3-chloro-2-(dimethylamino)phenyl]propan-1-one

C11H14ClNO — CID 22145447

IUPAC1-[3-chloro-2-(dimethylamino)phenyl]propan-1-one
SMILESCCC(=O)c1cccc(Cl)c1N(C)C
InChIInChI=1S/C11H14ClNO/c1-4-10(14)8-6-5-7-9(12)11(8)13(2)3/h5-7H,4H2,1-3H3
InChIKeyLHQYAZQESHVGRN-UHFFFAOYSA-N
MW211.69 g/mol
LogP3.00
Rot. Bonds3

About 1-[3-chloro-2-(dimethylamino)phenyl]propan-1-one

1-[3-chloro-2-(dimethylamino)phenyl]propan-1-one (PubChem CID 22145447) has the molecular formula C11H14ClNO and a molecular weight of 211.69 g/mol. Its IUPAC name is 1-[3-chloro-2-(dimethylamino)phenyl]propan-1-one.

Molecular Properties

Compound Name1-[3-chloro-2-(dimethylamino)phenyl]propan-1-one
PubChem CID22145447
Molecular FormulaC11H14ClNO
Molecular Weight211.69 g/mol
Exact Mass211.08
IUPAC Name1-[3-chloro-2-(dimethylamino)phenyl]propan-1-one
SMILESCCC(=O)c1cccc(Cl)c1N(C)C
InChIInChI=1S/C11H14ClNO/c1-4-10(14)8-6-5-7-9(12)11(8)13(2)3/h5-7H,4H2,1-3H3
InChIKeyLHQYAZQESHVGRN-UHFFFAOYSA-N
XLogP3.00
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.69
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,3-dichlorophenyl)propan-1-one
CID 22173184
1-[3-chloro-2-(fluoromethoxy)phenyl]propan-1-one
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1-[2-(2,3-dichlorophenoxy)phenyl]propan-1-one
CID 112677577
ethyl N-[3-chloro-2-(dimethylamino)phenyl]carbamate
CID 61061554
1-(7-chloro-1H-indol-3-yl)propan-1-one
CID 103474389
2-(dimethylamino)benzene-1,3-dicarboxylic acid
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(2,6-dichlorophenyl)-methylcarbamothioic S-acid
CID 87892838
1-(2,3-dichlorophenyl)butan-1-one
CID 54508940
3,5-dibromo-N-[3-chloro-2-(dimethylamino)phenyl]benzamide
CID 107980200
1-[2-[(2-chlorophenyl)methoxy]phenyl]propan-1-one
CID 29287743
(2,6-dichloro-N-methyl-3-propanoylanilino) sulfite
CID 174435055
1-[2-chloro-6-(chloromethyl)phenyl]propan-1-one
CID 130926000

Frequently Asked Questions

What is the IUPAC name of 1-[3-chloro-2-(dimethylamino)phenyl]propan-1-one?
The IUPAC name of 1-[3-chloro-2-(dimethylamino)phenyl]propan-1-one (CID 22145447) is 1-[3-chloro-2-(dimethylamino)phenyl]propan-1-one.
What is the SMILES notation for 1-[3-chloro-2-(dimethylamino)phenyl]propan-1-one?
The canonical SMILES for 1-[3-chloro-2-(dimethylamino)phenyl]propan-1-one is CCC(=O)c1cccc(Cl)c1N(C)C.
What is the InChIKey of 1-[3-chloro-2-(dimethylamino)phenyl]propan-1-one?
The InChIKey is LHQYAZQESHVGRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNO/c1-4-10(14)8-6-5-7-9(12)11(8)13(2)3/h5-7H,4H2,1-3H3.
What are the key properties of 1-[3-chloro-2-(dimethylamino)phenyl]propan-1-one?
1-[3-chloro-2-(dimethylamino)phenyl]propan-1-one has a molecular weight of 211.69 g/mol, XLogP of 3.00, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-chloro-2-(dimethylamino)phenyl]propan-1-one is sourced from PubChem (CID 22145447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).