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

C11H14Cl3NO — CID 2876896

IUPAC1-(3,4-dichlorophenyl)-3-(dimethylamino)propan-1-one;hydrochloride
SMILESCN(C)CCC(=O)c1ccc(Cl)c(Cl)c1.Cl
InChIInChI=1S/C11H13Cl2NO.ClH/c1-14(2)6-5-11(15)8-3-4-9(12)10(13)7-8;/h3-4,7H,5-6H2,1-2H3;1H
InChIKeyPRRKQCKNKRZOPV-UHFFFAOYSA-N
MW282.60 g/mol
LogP3.55
Rot. Bonds4

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

1-(3,4-dichlorophenyl)-3-(dimethylamino)propan-1-one;hydrochloride (PubChem CID 2876896) has the molecular formula C11H14Cl3NO and a molecular weight of 282.60 g/mol. Its IUPAC name is 1-(3,4-dichlorophenyl)-3-(dimethylamino)propan-1-one;hydrochloride.

Molecular Properties

Compound Name1-(3,4-dichlorophenyl)-3-(dimethylamino)propan-1-one;hydrochloride
PubChem CID2876896
Molecular FormulaC11H14Cl3NO
Molecular Weight282.60 g/mol
Exact Mass281.01
IUPAC Name1-(3,4-dichlorophenyl)-3-(dimethylamino)propan-1-one;hydrochloride
SMILESCN(C)CCC(=O)c1ccc(Cl)c(Cl)c1.Cl
InChIInChI=1S/C11H13Cl2NO.ClH/c1-14(2)6-5-11(15)8-3-4-9(12)10(13)7-8;/h3-4,7H,5-6H2,1-2H3;1H
InChIKeyPRRKQCKNKRZOPV-UHFFFAOYSA-N
XLogP3.55
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.60
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dichlorophenyl)-3-(dimethylamino)propan-1-one;hydrochloride?
The IUPAC name of 1-(3,4-dichlorophenyl)-3-(dimethylamino)propan-1-one;hydrochloride (CID 2876896) is 1-(3,4-dichlorophenyl)-3-(dimethylamino)propan-1-one;hydrochloride.
What is the SMILES notation for 1-(3,4-dichlorophenyl)-3-(dimethylamino)propan-1-one;hydrochloride?
The canonical SMILES for 1-(3,4-dichlorophenyl)-3-(dimethylamino)propan-1-one;hydrochloride is CN(C)CCC(=O)c1ccc(Cl)c(Cl)c1.Cl.
What is the InChIKey of 1-(3,4-dichlorophenyl)-3-(dimethylamino)propan-1-one;hydrochloride?
The InChIKey is PRRKQCKNKRZOPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13Cl2NO.ClH/c1-14(2)6-5-11(15)8-3-4-9(12)10(13)7-8;/h3-4,7H,5-6H2,1-2H3;1H.
What are the key properties of 1-(3,4-dichlorophenyl)-3-(dimethylamino)propan-1-one;hydrochloride?
1-(3,4-dichlorophenyl)-3-(dimethylamino)propan-1-one;hydrochloride has a molecular weight of 282.60 g/mol, XLogP of 3.55, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dichlorophenyl)-3-(dimethylamino)propan-1-one;hydrochloride is sourced from PubChem (CID 2876896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).