4-chloro-2-[(E)-C-methyl-N-(N-methylanilino)carbonimidoyl]aniline

C15H16ClN3 — CID 89327073

IUPAC4-chloro-2-[(E)-C-methyl-N-(N-methylanilino)carbonimidoyl]aniline
SMILESC/C(=N\N(C)c1ccccc1)c1cc(Cl)ccc1N
InChIInChI=1S/C15H16ClN3/c1-11(14-10-12(16)8-9-15(14)17)18-19(2)13-6-4-3-5-7-13/h3-10H,17H2,1-2H3/b18-11+
InChIKeyGBHLIPFNVIMFFJ-WOJGMQOQSA-N
MW273.77 g/mol
LogP3.78
Rot. Bonds3

About 4-chloro-2-[(E)-C-methyl-N-(N-methylanilino)carbonimidoyl]aniline

4-chloro-2-[(E)-C-methyl-N-(N-methylanilino)carbonimidoyl]aniline (PubChem CID 89327073) has the molecular formula C15H16ClN3 and a molecular weight of 273.77 g/mol. Its IUPAC name is 4-chloro-2-[(E)-C-methyl-N-(N-methylanilino)carbonimidoyl]aniline.

Molecular Properties

Compound Name4-chloro-2-[(E)-C-methyl-N-(N-methylanilino)carbonimidoyl]aniline
PubChem CID89327073
Molecular FormulaC15H16ClN3
Molecular Weight273.77 g/mol
Exact Mass273.10
IUPAC Name4-chloro-2-[(E)-C-methyl-N-(N-methylanilino)carbonimidoyl]aniline
SMILESC/C(=N\N(C)c1ccccc1)c1cc(Cl)ccc1N
InChIInChI=1S/C15H16ClN3/c1-11(14-10-12(16)8-9-15(14)17)18-19(2)13-6-4-3-5-7-13/h3-10H,17H2,1-2H3/b18-11+
InChIKeyGBHLIPFNVIMFFJ-WOJGMQOQSA-N
XLogP3.78
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.77
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-chloro-2-[(E)-C-methyl-N-(N-methylanilino)carbonimidoyl]aniline 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

4-chloro-2-[(E)-C-methyl-N-[N-methyl-3-(trifluoromethyl)anilino]carbonimidoyl]aniline
CID 89327189
2-[(E)-N-(4-chloro-N-methylanilino)-C-methylcarbonimidoyl]-4-methylaniline
CID 89329226
4-chloro-N-methyl-2-[(E)-C-methyl-N-(N-methylanilino)carbonimidoyl]aniline
CID 58987656
N-[(E)-1-(2-amino-5-chlorophenyl)ethylideneamino]-2,3-dichloro-N-methylaniline
CID 89327170
N-[(E)-1-(2-amino-5-chlorophenyl)ethylideneamino]-N-methylquinolin-2-amine
CID 89327099
N-[(E)-1-(2-amino-5-chlorophenyl)ethylideneamino]-N-methylquinoxalin-2-amine
CID 89326931
4-chloro-N-methyl-N-(3-methylbut-2-enyl)-2-[(E)-C-methyl-N-(N-methylanilino)carbonimidoyl]aniline
CID 58987663
4-chloro-2-[(E)-N-(2-chloro-N-propylanilino)-C-methylcarbonimidoyl]aniline
CID 89327036
N-[(E)-1-(2-amino-5-chlorophenyl)ethylideneamino]-4-chloro-N-methylbenzamide
CID 89326911
4-chloro-2-[(Z)-N-(4-chloro-N-methylanilino)-C-methylcarbonimidoyl]-N-methylaniline
CID 90885434
2-chloro-N-methyl-6-[(E)-C-methyl-N-(N-methylanilino)carbonimidoyl]aniline
CID 58987714
N-[(E)-1-(2-amino-5-chlorophenyl)ethylideneamino]-3,4-dichloro-N-propan-2-ylaniline
CID 89327166

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[(E)-C-methyl-N-(N-methylanilino)carbonimidoyl]aniline?
The IUPAC name of 4-chloro-2-[(E)-C-methyl-N-(N-methylanilino)carbonimidoyl]aniline (CID 89327073) is 4-chloro-2-[(E)-C-methyl-N-(N-methylanilino)carbonimidoyl]aniline.
What is the SMILES notation for 4-chloro-2-[(E)-C-methyl-N-(N-methylanilino)carbonimidoyl]aniline?
The canonical SMILES for 4-chloro-2-[(E)-C-methyl-N-(N-methylanilino)carbonimidoyl]aniline is C/C(=N\N(C)c1ccccc1)c1cc(Cl)ccc1N.
What is the InChIKey of 4-chloro-2-[(E)-C-methyl-N-(N-methylanilino)carbonimidoyl]aniline?
The InChIKey is GBHLIPFNVIMFFJ-WOJGMQOQSA-N. The full InChI is InChI=1S/C15H16ClN3/c1-11(14-10-12(16)8-9-15(14)17)18-19(2)13-6-4-3-5-7-13/h3-10H,17H2,1-2H3/b18-11+.
What are the key properties of 4-chloro-2-[(E)-C-methyl-N-(N-methylanilino)carbonimidoyl]aniline?
4-chloro-2-[(E)-C-methyl-N-(N-methylanilino)carbonimidoyl]aniline has a molecular weight of 273.77 g/mol, XLogP of 3.78, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[(E)-C-methyl-N-(N-methylanilino)carbonimidoyl]aniline is sourced from PubChem (CID 89327073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).