1-(2,5-dichlorophenyl)-3-(dimethylamino)propan-1-one;hydrochloride

C11H14Cl3NO — CID 127255589

IUPAC1-(2,5-dichlorophenyl)-3-(dimethylamino)propan-1-one;hydrochloride
SMILESCN(C)CCC(=O)c1cc(Cl)ccc1Cl.Cl
InChIInChI=1S/C11H13Cl2NO.ClH/c1-14(2)6-5-11(15)9-7-8(12)3-4-10(9)13;/h3-4,7H,5-6H2,1-2H3;1H
InChIKeyISJPQNPHKHMRME-UHFFFAOYSA-N
MW282.60 g/mol
LogP3.55
Rot. Bonds4

About 1-(2,5-dichlorophenyl)-3-(dimethylamino)propan-1-one;hydrochloride

1-(2,5-dichlorophenyl)-3-(dimethylamino)propan-1-one;hydrochloride (PubChem CID 127255589) has the molecular formula C11H14Cl3NO and a molecular weight of 282.60 g/mol. Its IUPAC name is 1-(2,5-dichlorophenyl)-3-(dimethylamino)propan-1-one;hydrochloride.

Molecular Properties

Compound Name1-(2,5-dichlorophenyl)-3-(dimethylamino)propan-1-one;hydrochloride
PubChem CID127255589
Molecular FormulaC11H14Cl3NO
Molecular Weight282.60 g/mol
Exact Mass281.01
IUPAC Name1-(2,5-dichlorophenyl)-3-(dimethylamino)propan-1-one;hydrochloride
SMILESCN(C)CCC(=O)c1cc(Cl)ccc1Cl.Cl
InChIInChI=1S/C11H13Cl2NO.ClH/c1-14(2)6-5-11(15)9-7-8(12)3-4-10(9)13;/h3-4,7H,5-6H2,1-2H3;1H
InChIKeyISJPQNPHKHMRME-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

Analyze 1-(2,5-dichlorophenyl)-3-(dimethylamino)propan-1-one;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(5-chloro-2-hydroxyphenyl)-3-(dimethylamino)propan-1-one
CID 12572233
2,5-dichloro-N-[2-(dimethylamino)ethyl]-N-methylbenzamide
CID 110484021
1-(5-chloro-2-hydroxyphenyl)-5-(dimethylamino)pentan-1-one
CID 160849157
1-(2,5-dichlorophenyl)-2-[3-(dimethylamino)propyl-ethylamino]ethanone
CID 102995029
1-(2,5-dichlorophenyl)-3-methylsulfonylpropan-1-one
CID 114969573
4-amino-1-(2,5-dichlorophenyl)pentan-1-one
CID 116571674
1-(2,5-dichlorophenyl)hex-4-yn-1-one
CID 115801520
1-(5-chloro-2,3-dimethoxyphenyl)-3-(dimethylamino)propan-1-one
CID 3088210
1-(2,5-dichlorophenyl)butane-1,3-dione
CID 43089597
7-amino-1-(2,5-dichlorophenyl)heptan-1-one
CID 116551494
5-chloro-N-[2-(dimethylamino)ethyl]-2-hydroxy-N-methylbenzamide
CID 63700387
1-(2,5-dichlorophenyl)-4-methoxy-4-methylpentan-1-one
CID 103024686

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dichlorophenyl)-3-(dimethylamino)propan-1-one;hydrochloride?
The IUPAC name of 1-(2,5-dichlorophenyl)-3-(dimethylamino)propan-1-one;hydrochloride (CID 127255589) is 1-(2,5-dichlorophenyl)-3-(dimethylamino)propan-1-one;hydrochloride.
What is the SMILES notation for 1-(2,5-dichlorophenyl)-3-(dimethylamino)propan-1-one;hydrochloride?
The canonical SMILES for 1-(2,5-dichlorophenyl)-3-(dimethylamino)propan-1-one;hydrochloride is CN(C)CCC(=O)c1cc(Cl)ccc1Cl.Cl.
What is the InChIKey of 1-(2,5-dichlorophenyl)-3-(dimethylamino)propan-1-one;hydrochloride?
The InChIKey is ISJPQNPHKHMRME-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13Cl2NO.ClH/c1-14(2)6-5-11(15)9-7-8(12)3-4-10(9)13;/h3-4,7H,5-6H2,1-2H3;1H.
What are the key properties of 1-(2,5-dichlorophenyl)-3-(dimethylamino)propan-1-one;hydrochloride?
1-(2,5-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-(2,5-dichlorophenyl)-3-(dimethylamino)propan-1-one;hydrochloride is sourced from PubChem (CID 127255589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).