1-(3,4-dichlorophenyl)-1-(dimethylamino)propan-2-one;hydrochloride

C11H14Cl3NO — CID 71239032

IUPAC1-(3,4-dichlorophenyl)-1-(dimethylamino)propan-2-one;hydrochloride
SMILESCC(=O)C(c1ccc(Cl)c(Cl)c1)N(C)C.Cl
InChIInChI=1S/C11H13Cl2NO.ClH/c1-7(15)11(14(2)3)8-4-5-9(12)10(13)6-8;/h4-6,11H,1-3H3;1H
InChIKeyFDECFALBEFIOHO-UHFFFAOYSA-N
MW282.60 g/mol
LogP3.61
Rot. Bonds3

About 1-(3,4-dichlorophenyl)-1-(dimethylamino)propan-2-one;hydrochloride

1-(3,4-dichlorophenyl)-1-(dimethylamino)propan-2-one;hydrochloride (PubChem CID 71239032) has the molecular formula C11H14Cl3NO and a molecular weight of 282.60 g/mol. Its IUPAC name is 1-(3,4-dichlorophenyl)-1-(dimethylamino)propan-2-one;hydrochloride.

Molecular Properties

Compound Name1-(3,4-dichlorophenyl)-1-(dimethylamino)propan-2-one;hydrochloride
PubChem CID71239032
Molecular FormulaC11H14Cl3NO
Molecular Weight282.60 g/mol
Exact Mass281.01
IUPAC Name1-(3,4-dichlorophenyl)-1-(dimethylamino)propan-2-one;hydrochloride
SMILESCC(=O)C(c1ccc(Cl)c(Cl)c1)N(C)C.Cl
InChIInChI=1S/C11H13Cl2NO.ClH/c1-7(15)11(14(2)3)8-4-5-9(12)10(13)6-8;/h4-6,11H,1-3H3;1H
InChIKeyFDECFALBEFIOHO-UHFFFAOYSA-N
XLogP3.61
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.60
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 116910574
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2-bromo-2-(3,4-dichlorophenyl)acetate
CID 18951153
(2S)-2-(3,4-dichlorophenyl)-3-oxobutanenitrile
CID 86325553
(4S)-4-(3,4-dichlorophenyl)-4-hydroxybutan-2-one
CID 101046383
2-(3,4-dichlorophenyl)-2-(dimethylamino)acetaldehyde
CID 116908705
5-amino-3-(3,4-dichlorophenyl)pentan-2-one
CID 142270867
methyl (2R)-2-amino-2-(3,4-dichlorophenyl)acetate;hydrochloride
CID 155903191
3-(3,4-dichlorophenyl)-3-(dimethylamino)propan-1-ol
CID 83931252
2-(3,4-dichlorophenyl)-N,N-dimethyl-2-piperidin-4-ylacetamide;hydrochloride
CID 71727884
5-(3,4-dichlorophenyl)-6-(dimethylamino)-3-phenylhept-2-enoic acid;hydrochloride
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ethyl 2-(3-chloro-4-fluorophenyl)-2-(dimethylamino)acetate
CID 116914266

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dichlorophenyl)-1-(dimethylamino)propan-2-one;hydrochloride?
The IUPAC name of 1-(3,4-dichlorophenyl)-1-(dimethylamino)propan-2-one;hydrochloride (CID 71239032) is 1-(3,4-dichlorophenyl)-1-(dimethylamino)propan-2-one;hydrochloride.
What is the SMILES notation for 1-(3,4-dichlorophenyl)-1-(dimethylamino)propan-2-one;hydrochloride?
The canonical SMILES for 1-(3,4-dichlorophenyl)-1-(dimethylamino)propan-2-one;hydrochloride is CC(=O)C(c1ccc(Cl)c(Cl)c1)N(C)C.Cl.
What is the InChIKey of 1-(3,4-dichlorophenyl)-1-(dimethylamino)propan-2-one;hydrochloride?
The InChIKey is FDECFALBEFIOHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13Cl2NO.ClH/c1-7(15)11(14(2)3)8-4-5-9(12)10(13)6-8;/h4-6,11H,1-3H3;1H.
What are the key properties of 1-(3,4-dichlorophenyl)-1-(dimethylamino)propan-2-one;hydrochloride?
1-(3,4-dichlorophenyl)-1-(dimethylamino)propan-2-one;hydrochloride has a molecular weight of 282.60 g/mol, XLogP of 3.61, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dichlorophenyl)-1-(dimethylamino)propan-2-one;hydrochloride is sourced from PubChem (CID 71239032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).