4-[(E)-[(2,6-dichlorophenyl)methylhydrazinylidene]methyl]-N,N-dimethylaniline

C16H17Cl2N3 — CID 19060060

IUPAC4-[(E)-[(2,6-dichlorophenyl)methylhydrazinylidene]methyl]-N,N-dimethylaniline
SMILESCN(C)c1ccc(/C=N/NCc2c(Cl)cccc2Cl)cc1
InChIInChI=1S/C16H17Cl2N3/c1-21(2)13-8-6-12(7-9-13)10-19-20-11-14-15(17)4-3-5-16(14)18/h3-10,20H,11H2,1-2H3/b19-10+
InChIKeyYYEJKMPKWWVZEK-VXLYETTFSA-N
MW322.24 g/mol
LogP4.18
Rot. Bonds5

About 4-[(E)-[(2,6-dichlorophenyl)methylhydrazinylidene]methyl]-N,N-dimethylaniline

4-[(E)-[(2,6-dichlorophenyl)methylhydrazinylidene]methyl]-N,N-dimethylaniline (PubChem CID 19060060) has the molecular formula C16H17Cl2N3 and a molecular weight of 322.24 g/mol. Its IUPAC name is 4-[(E)-[(2,6-dichlorophenyl)methylhydrazinylidene]methyl]-N,N-dimethylaniline.

Molecular Properties

Compound Name4-[(E)-[(2,6-dichlorophenyl)methylhydrazinylidene]methyl]-N,N-dimethylaniline
PubChem CID19060060
Molecular FormulaC16H17Cl2N3
Molecular Weight322.24 g/mol
Exact Mass321.08
IUPAC Name4-[(E)-[(2,6-dichlorophenyl)methylhydrazinylidene]methyl]-N,N-dimethylaniline
SMILESCN(C)c1ccc(/C=N/NCc2c(Cl)cccc2Cl)cc1
InChIInChI=1S/C16H17Cl2N3/c1-21(2)13-8-6-12(7-9-13)10-19-20-11-14-15(17)4-3-5-16(14)18/h3-10,20H,11H2,1-2H3/b19-10+
InChIKeyYYEJKMPKWWVZEK-VXLYETTFSA-N
XLogP4.18
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.24
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2,4-Dichlorobenzaldehyde phenylhydrazone
CID 9568231
(4-(2-Chloro-benzyl)-piperazin-1-YL)-(4-dimethylamino-benzylidene)-amine
CID 6861825
(4-(2-Chloro-benzyl)-piperazin-1-YL)-(4-diethylamino-benzylidene)-amine
CID 6861834
N-[(Z)-(2,4-dichlorophenyl)methylideneamino]aniline
CID 5368710
Dimethyl-(4-(phenyl-hydrazonomethyl)-phenyl)-amine
CID 9584868
N-[(E)-[4-[benzyl(ethyl)amino]phenyl]methylideneamino]-3-chloro-4-methylaniline
CID 9607411
CID 249844
CID 249844
N-[(E)-(2-chlorophenyl)methylidene]-4-(4-methylphenyl)-1-piperazinamine
CID 5727525
5-(2-CL-PH)-4-((4-(Dimethylamino)benzylidene)amino)-4H-1,2,4-triazole-3-thiol
CID 6861317
5-(2-CL-Phenyl)-4-((4-(diethylamino)benzylidene)amino)-4H-1,2,4-triazole-3-thiol
CID 9636291
N-(2,4-Dichlorobenzylidene)-4-phenyl-1-piperazinamine
CID 5727574
2-Chloro-4-(dimethylamino)-benzaldehyde azine
CID 4183721

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-[(2,6-dichlorophenyl)methylhydrazinylidene]methyl]-N,N-dimethylaniline?
The IUPAC name of 4-[(E)-[(2,6-dichlorophenyl)methylhydrazinylidene]methyl]-N,N-dimethylaniline (CID 19060060) is 4-[(E)-[(2,6-dichlorophenyl)methylhydrazinylidene]methyl]-N,N-dimethylaniline.
What is the SMILES notation for 4-[(E)-[(2,6-dichlorophenyl)methylhydrazinylidene]methyl]-N,N-dimethylaniline?
The canonical SMILES for 4-[(E)-[(2,6-dichlorophenyl)methylhydrazinylidene]methyl]-N,N-dimethylaniline is CN(C)c1ccc(/C=N/NCc2c(Cl)cccc2Cl)cc1.
What is the InChIKey of 4-[(E)-[(2,6-dichlorophenyl)methylhydrazinylidene]methyl]-N,N-dimethylaniline?
The InChIKey is YYEJKMPKWWVZEK-VXLYETTFSA-N. The full InChI is InChI=1S/C16H17Cl2N3/c1-21(2)13-8-6-12(7-9-13)10-19-20-11-14-15(17)4-3-5-16(14)18/h3-10,20H,11H2,1-2H3/b19-10+.
What are the key properties of 4-[(E)-[(2,6-dichlorophenyl)methylhydrazinylidene]methyl]-N,N-dimethylaniline?
4-[(E)-[(2,6-dichlorophenyl)methylhydrazinylidene]methyl]-N,N-dimethylaniline has a molecular weight of 322.24 g/mol, XLogP of 4.18, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-[(2,6-dichlorophenyl)methylhydrazinylidene]methyl]-N,N-dimethylaniline is sourced from PubChem (CID 19060060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).