2-chloro-N-methyl-6-[(E)-C-methyl-N-(N-methylanilino)carbonimidoyl]aniline

C16H18ClN3 — CID 58987714

IUPAC2-chloro-N-methyl-6-[(E)-C-methyl-N-(N-methylanilino)carbonimidoyl]aniline
SMILESCNc1c(Cl)cccc1/C(C)=N/N(C)c1ccccc1
InChIInChI=1S/C16H18ClN3/c1-12(14-10-7-11-15(17)16(14)18-2)19-20(3)13-8-5-4-6-9-13/h4-11,18H,1-3H3/b19-12+
InChIKeyBHJFHTOBDIJINB-XDHOZWIPSA-N
MW287.79 g/mol
LogP4.24
Rot. Bonds4

About 2-chloro-N-methyl-6-[(E)-C-methyl-N-(N-methylanilino)carbonimidoyl]aniline

2-chloro-N-methyl-6-[(E)-C-methyl-N-(N-methylanilino)carbonimidoyl]aniline (PubChem CID 58987714) has the molecular formula C16H18ClN3 and a molecular weight of 287.79 g/mol. Its IUPAC name is 2-chloro-N-methyl-6-[(E)-C-methyl-N-(N-methylanilino)carbonimidoyl]aniline.

Molecular Properties

Compound Name2-chloro-N-methyl-6-[(E)-C-methyl-N-(N-methylanilino)carbonimidoyl]aniline
PubChem CID58987714
Molecular FormulaC16H18ClN3
Molecular Weight287.79 g/mol
Exact Mass287.12
IUPAC Name2-chloro-N-methyl-6-[(E)-C-methyl-N-(N-methylanilino)carbonimidoyl]aniline
SMILESCNc1c(Cl)cccc1/C(C)=N/N(C)c1ccccc1
InChIInChI=1S/C16H18ClN3/c1-12(14-10-7-11-15(17)16(14)18-2)19-20(3)13-8-5-4-6-9-13/h4-11,18H,1-3H3/b19-12+
InChIKeyBHJFHTOBDIJINB-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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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-methyl-6-[(E)-C-methyl-N-(N-methylanilino)carbonimidoyl]aniline?
The IUPAC name of 2-chloro-N-methyl-6-[(E)-C-methyl-N-(N-methylanilino)carbonimidoyl]aniline (CID 58987714) is 2-chloro-N-methyl-6-[(E)-C-methyl-N-(N-methylanilino)carbonimidoyl]aniline.
What is the SMILES notation for 2-chloro-N-methyl-6-[(E)-C-methyl-N-(N-methylanilino)carbonimidoyl]aniline?
The canonical SMILES for 2-chloro-N-methyl-6-[(E)-C-methyl-N-(N-methylanilino)carbonimidoyl]aniline is CNc1c(Cl)cccc1/C(C)=N/N(C)c1ccccc1.
What is the InChIKey of 2-chloro-N-methyl-6-[(E)-C-methyl-N-(N-methylanilino)carbonimidoyl]aniline?
The InChIKey is BHJFHTOBDIJINB-XDHOZWIPSA-N. The full InChI is InChI=1S/C16H18ClN3/c1-12(14-10-7-11-15(17)16(14)18-2)19-20(3)13-8-5-4-6-9-13/h4-11,18H,1-3H3/b19-12+.
What are the key properties of 2-chloro-N-methyl-6-[(E)-C-methyl-N-(N-methylanilino)carbonimidoyl]aniline?
2-chloro-N-methyl-6-[(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 2-chloro-N-methyl-6-[(E)-C-methyl-N-(N-methylanilino)carbonimidoyl]aniline is sourced from PubChem (CID 58987714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).