2,6-dichloro-1-N-[2-(dimethylamino)phenyl]benzene-1,4-diamine

C14H15Cl2N3 — CID 106890898

IUPAC2,6-dichloro-1-N-[2-(dimethylamino)phenyl]benzene-1,4-diamine
SMILESCN(C)c1ccccc1Nc1c(Cl)cc(N)cc1Cl
InChIInChI=1S/C14H15Cl2N3/c1-19(2)13-6-4-3-5-12(13)18-14-10(15)7-9(17)8-11(14)16/h3-8,18H,17H2,1-2H3
InChIKeyGDSKHHLWGICYFA-UHFFFAOYSA-N
MW296.20 g/mol
LogP4.39
Rot. Bonds3

About 2,6-dichloro-1-N-[2-(dimethylamino)phenyl]benzene-1,4-diamine

2,6-dichloro-1-N-[2-(dimethylamino)phenyl]benzene-1,4-diamine (PubChem CID 106890898) has the molecular formula C14H15Cl2N3 and a molecular weight of 296.20 g/mol. Its IUPAC name is 2,6-dichloro-1-N-[2-(dimethylamino)phenyl]benzene-1,4-diamine.

Molecular Properties

Compound Name2,6-dichloro-1-N-[2-(dimethylamino)phenyl]benzene-1,4-diamine
PubChem CID106890898
Molecular FormulaC14H15Cl2N3
Molecular Weight296.20 g/mol
Exact Mass295.06
IUPAC Name2,6-dichloro-1-N-[2-(dimethylamino)phenyl]benzene-1,4-diamine
SMILESCN(C)c1ccccc1Nc1c(Cl)cc(N)cc1Cl
InChIInChI=1S/C14H15Cl2N3/c1-19(2)13-6-4-3-5-12(13)18-14-10(15)7-9(17)8-11(14)16/h3-8,18H,17H2,1-2H3
InChIKeyGDSKHHLWGICYFA-UHFFFAOYSA-N
XLogP4.39
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.20
LogP ≤ 54.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 2,6-dichloro-1-N-[2-(dimethylamino)phenyl]benzene-1,4-diamine 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

N-(4-chlorophenyl)benzene-1,2-diamine
CID 522323
3-Chloro-4-(piperidin-1-yl)aniline
CID 736350
4-chloro-N1-phenylbenzene-1,2-diamine
CID 264999
2,6-Dichloro-N-phenylaniline
CID 84867
3-Chloro-4-(4-methylpiperazin-1-yl)aniline
CID 820343
3-Chloro-4-(4-methylpiperazin-1-yl)aniline hydrochloride
CID 16195098
2-Chloro-N1-phenylbenzene-1,4-diamine
CID 800998
1,4-Benzenediamine, 2-chloro-N1,N1-dimethyl-
CID 80180
1-(2,4-Dichlorophenyl)piperazine
CID 2737527
2-chloro-1-N,1-N-bis(2-chloroethyl)benzene-1,4-diamine
CID 10778263
4-Chloro-N1,N1-dimethylbenzene-1,2-diamine hydrochloride
CID 16196771
1-(2,5-Dichlorophenyl)piperazine
CID 2758188

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-1-N-[2-(dimethylamino)phenyl]benzene-1,4-diamine?
The IUPAC name of 2,6-dichloro-1-N-[2-(dimethylamino)phenyl]benzene-1,4-diamine (CID 106890898) is 2,6-dichloro-1-N-[2-(dimethylamino)phenyl]benzene-1,4-diamine.
What is the SMILES notation for 2,6-dichloro-1-N-[2-(dimethylamino)phenyl]benzene-1,4-diamine?
The canonical SMILES for 2,6-dichloro-1-N-[2-(dimethylamino)phenyl]benzene-1,4-diamine is CN(C)c1ccccc1Nc1c(Cl)cc(N)cc1Cl.
What is the InChIKey of 2,6-dichloro-1-N-[2-(dimethylamino)phenyl]benzene-1,4-diamine?
The InChIKey is GDSKHHLWGICYFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15Cl2N3/c1-19(2)13-6-4-3-5-12(13)18-14-10(15)7-9(17)8-11(14)16/h3-8,18H,17H2,1-2H3.
What are the key properties of 2,6-dichloro-1-N-[2-(dimethylamino)phenyl]benzene-1,4-diamine?
2,6-dichloro-1-N-[2-(dimethylamino)phenyl]benzene-1,4-diamine has a molecular weight of 296.20 g/mol, XLogP of 4.39, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-1-N-[2-(dimethylamino)phenyl]benzene-1,4-diamine is sourced from PubChem (CID 106890898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).