1-(3-chlorophenyl)-2-(dimethylamino)ethanone;hydrochloride

C10H13Cl2NO — CID 178200158

IUPAC1-(3-chlorophenyl)-2-(dimethylamino)ethanone;hydrochloride
SMILESCN(C)CC(=O)c1cccc(Cl)c1.Cl
InChIInChI=1S/C10H12ClNO.ClH/c1-12(2)7-10(13)8-4-3-5-9(11)6-8;/h3-6H,7H2,1-2H3;1H
InChIKeyBTFKKCIFBJMKNV-UHFFFAOYSA-N
MW234.13 g/mol
LogP2.51
Rot. Bonds3

About 1-(3-chlorophenyl)-2-(dimethylamino)ethanone;hydrochloride

1-(3-chlorophenyl)-2-(dimethylamino)ethanone;hydrochloride (PubChem CID 178200158) has the molecular formula C10H13Cl2NO and a molecular weight of 234.13 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-2-(dimethylamino)ethanone;hydrochloride.

Molecular Properties

Compound Name1-(3-chlorophenyl)-2-(dimethylamino)ethanone;hydrochloride
PubChem CID178200158
Molecular FormulaC10H13Cl2NO
Molecular Weight234.13 g/mol
Exact Mass233.04
IUPAC Name1-(3-chlorophenyl)-2-(dimethylamino)ethanone;hydrochloride
SMILESCN(C)CC(=O)c1cccc(Cl)c1.Cl
InChIInChI=1S/C10H12ClNO.ClH/c1-12(2)7-10(13)8-4-3-5-9(11)6-8;/h3-6H,7H2,1-2H3;1H
InChIKeyBTFKKCIFBJMKNV-UHFFFAOYSA-N
XLogP2.51
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.13
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-2-(dimethylamino)ethanone;hydrochloride?
The IUPAC name of 1-(3-chlorophenyl)-2-(dimethylamino)ethanone;hydrochloride (CID 178200158) is 1-(3-chlorophenyl)-2-(dimethylamino)ethanone;hydrochloride.
What is the SMILES notation for 1-(3-chlorophenyl)-2-(dimethylamino)ethanone;hydrochloride?
The canonical SMILES for 1-(3-chlorophenyl)-2-(dimethylamino)ethanone;hydrochloride is CN(C)CC(=O)c1cccc(Cl)c1.Cl.
What is the InChIKey of 1-(3-chlorophenyl)-2-(dimethylamino)ethanone;hydrochloride?
The InChIKey is BTFKKCIFBJMKNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClNO.ClH/c1-12(2)7-10(13)8-4-3-5-9(11)6-8;/h3-6H,7H2,1-2H3;1H.
What are the key properties of 1-(3-chlorophenyl)-2-(dimethylamino)ethanone;hydrochloride?
1-(3-chlorophenyl)-2-(dimethylamino)ethanone;hydrochloride has a molecular weight of 234.13 g/mol, XLogP of 2.51, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-2-(dimethylamino)ethanone;hydrochloride is sourced from PubChem (CID 178200158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).