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

C16H18ClN3 — CID 58987656

IUPAC4-chloro-N-methyl-2-[(E)-C-methyl-N-(N-methylanilino)carbonimidoyl]aniline
SMILESCNc1ccc(Cl)cc1/C(C)=N/N(C)c1ccccc1
InChIInChI=1S/C16H18ClN3/c1-12(15-11-13(17)9-10-16(15)18-2)19-20(3)14-7-5-4-6-8-14/h4-11,18H,1-3H3/b19-12+
InChIKeyCNXPKDLZRVOIJM-XDHOZWIPSA-N
MW287.79 g/mol
LogP4.24
Rot. Bonds4

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

4-chloro-N-methyl-2-[(E)-C-methyl-N-(N-methylanilino)carbonimidoyl]aniline (PubChem CID 58987656) has the molecular formula C16H18ClN3 and a molecular weight of 287.79 g/mol. Its IUPAC name is 4-chloro-N-methyl-2-[(E)-C-methyl-N-(N-methylanilino)carbonimidoyl]aniline.

Molecular Properties

Compound Name4-chloro-N-methyl-2-[(E)-C-methyl-N-(N-methylanilino)carbonimidoyl]aniline
PubChem CID58987656
Molecular FormulaC16H18ClN3
Molecular Weight287.79 g/mol
Exact Mass287.12
IUPAC Name4-chloro-N-methyl-2-[(E)-C-methyl-N-(N-methylanilino)carbonimidoyl]aniline
SMILESCNc1ccc(Cl)cc1/C(C)=N/N(C)c1ccccc1
InChIInChI=1S/C16H18ClN3/c1-12(15-11-13(17)9-10-16(15)18-2)19-20(3)14-7-5-4-6-8-14/h4-11,18H,1-3H3/b19-12+
InChIKeyCNXPKDLZRVOIJM-XDHOZWIPSA-N
XLogP4.24
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.79
LogP ≤ 54.24
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

4-chloro-2-[(Z)-N-(4-chloro-N-methylanilino)-C-methylcarbonimidoyl]-N-methylaniline
CID 90885434
4-chloro-2-[(E)-N-(N,4-dimethylanilino)-C-methylcarbonimidoyl]-N-methylaniline
CID 58987753
4-chloro-2-[(E)-N-(3,5-dichloro-N-methylanilino)-C-methylcarbonimidoyl]-N-methylaniline
CID 58987806
4-chloro-2-[(E)-C-methyl-N-(N-methylanilino)carbonimidoyl]aniline
CID 89327073
2,3-dichloro-N-[(Z)-1-[5-chloro-2-(methylamino)phenyl]ethylideneamino]-N-methylaniline
CID 90742179
N-[(E)-1-[5-chloro-2-(methylamino)phenyl]ethylideneamino]-N-methylquinolin-2-amine
CID 58987758
N-[(E)-1-[5-chloro-2-(methylamino)phenyl]ethylideneamino]-N-methylquinoxalin-2-amine
CID 58987662
4-chloro-2-[(Z)-N-(4-chloro-N-ethylanilino)-C-methylcarbonimidoyl]-N-methylaniline
CID 91291692
2-chloro-N-methyl-6-[(E)-C-methyl-N-(N-methylanilino)carbonimidoyl]aniline
CID 58987714
5-chloro-N-methyl-2-(methylamino)-N-phenylbenzamide
CID 55042648
4-chloro-2-[(E)-N-(N-ethyl-4-methylanilino)-C-methylcarbonimidoyl]-N-methylaniline
CID 58987825
4-chloro-N-[(E)-1-[5-chloro-2-(methylamino)phenyl]ethylideneamino]-N-methylbenzamide
CID 58987672

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-methyl-2-[(E)-C-methyl-N-(N-methylanilino)carbonimidoyl]aniline?
The IUPAC name of 4-chloro-N-methyl-2-[(E)-C-methyl-N-(N-methylanilino)carbonimidoyl]aniline (CID 58987656) is 4-chloro-N-methyl-2-[(E)-C-methyl-N-(N-methylanilino)carbonimidoyl]aniline.
What is the SMILES notation for 4-chloro-N-methyl-2-[(E)-C-methyl-N-(N-methylanilino)carbonimidoyl]aniline?
The canonical SMILES for 4-chloro-N-methyl-2-[(E)-C-methyl-N-(N-methylanilino)carbonimidoyl]aniline is CNc1ccc(Cl)cc1/C(C)=N/N(C)c1ccccc1.
What is the InChIKey of 4-chloro-N-methyl-2-[(E)-C-methyl-N-(N-methylanilino)carbonimidoyl]aniline?
The InChIKey is CNXPKDLZRVOIJM-XDHOZWIPSA-N. The full InChI is InChI=1S/C16H18ClN3/c1-12(15-11-13(17)9-10-16(15)18-2)19-20(3)14-7-5-4-6-8-14/h4-11,18H,1-3H3/b19-12+.
What are the key properties of 4-chloro-N-methyl-2-[(E)-C-methyl-N-(N-methylanilino)carbonimidoyl]aniline?
4-chloro-N-methyl-2-[(E)-C-methyl-N-(N-methylanilino)carbonimidoyl]aniline has a molecular weight of 287.79 g/mol, XLogP of 4.24, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-methyl-2-[(E)-C-methyl-N-(N-methylanilino)carbonimidoyl]aniline is sourced from PubChem (CID 58987656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).