N,N'-bis(3-chloro-2-methylphenyl)methanediimine

C15H12Cl2N2 — CID 13747

IUPACN,N'-bis(3-chloro-2-methylphenyl)methanediimine
SMILESCc1c(Cl)cccc1N=C=Nc1cccc(Cl)c1C
InChIInChI=1S/C15H12Cl2N2/c1-10-12(16)5-3-7-14(10)18-9-19-15-8-4-6-13(17)11(15)2/h3-8H,1-2H3
InChIKeyOVBDZHWZFKZWPJ-UHFFFAOYSA-N
MW291.18 g/mol
LogP5.75
Rot. Bonds2

About N,N'-bis(3-chloro-2-methylphenyl)methanediimine

N,N'-bis(3-chloro-2-methylphenyl)methanediimine (PubChem CID 13747) has the molecular formula C15H12Cl2N2 and a molecular weight of 291.18 g/mol. Its IUPAC name is N,N'-bis(3-chloro-2-methylphenyl)methanediimine.

Molecular Properties

Compound NameN,N'-bis(3-chloro-2-methylphenyl)methanediimine
PubChem CID13747
Molecular FormulaC15H12Cl2N2
Molecular Weight291.18 g/mol
Exact Mass290.04
IUPAC NameN,N'-bis(3-chloro-2-methylphenyl)methanediimine
SMILESCc1c(Cl)cccc1N=C=Nc1cccc(Cl)c1C
InChIInChI=1S/C15H12Cl2N2/c1-10-12(16)5-3-7-14(10)18-9-19-15-8-4-6-13(17)11(15)2/h3-8H,1-2H3
InChIKeyOVBDZHWZFKZWPJ-UHFFFAOYSA-N
XLogP5.75
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500291.18
LogP ≤ 55.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-Chloro-2-methylaniline
CID 6894
5-Chloro-2-methylphenyl isothiocyanate
CID 29519
Benzenamine, N,N'-methanetetraylbis(2-methyl-
CID 102025
3-Chloro-4-methylphenyl isothiocyanate
CID 140505
3-Chloro-2-methylaniline hydrochloride
CID 80415
4-{[{[Amino(imino)methyl]amino}(imino)methyl]amino}-2-chloro-1-methylbenzene
CID 2730269
N-(5-chloro-2-methylphenyl)imidodicarbonimidic diamide
CID 2969603
1-Chloro-3-isocyanato-2-methylbenzene
CID 2735770
1-Chloro-3-isothiocyanato-2-methylbenzene
CID 140504
N'-(3-chlorophenyl)-N-[(3-chlorophenyl)methylidene]methanimidamide
CID 9604992
N-(3-chloro-2-methylphenyl)imidodicarbonimidic diamide
CID 2943181
2-Chloro-N-(4-chlorophenyl)benzene-1-carboximidamide
CID 211756

Frequently Asked Questions

What is the IUPAC name of N,N'-bis(3-chloro-2-methylphenyl)methanediimine?
The IUPAC name of N,N'-bis(3-chloro-2-methylphenyl)methanediimine (CID 13747) is N,N'-bis(3-chloro-2-methylphenyl)methanediimine.
What is the SMILES notation for N,N'-bis(3-chloro-2-methylphenyl)methanediimine?
The canonical SMILES for N,N'-bis(3-chloro-2-methylphenyl)methanediimine is Cc1c(Cl)cccc1N=C=Nc1cccc(Cl)c1C.
What is the InChIKey of N,N'-bis(3-chloro-2-methylphenyl)methanediimine?
The InChIKey is OVBDZHWZFKZWPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Cl2N2/c1-10-12(16)5-3-7-14(10)18-9-19-15-8-4-6-13(17)11(15)2/h3-8H,1-2H3.
What are the key properties of N,N'-bis(3-chloro-2-methylphenyl)methanediimine?
N,N'-bis(3-chloro-2-methylphenyl)methanediimine has a molecular weight of 291.18 g/mol, XLogP of 5.75, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis(3-chloro-2-methylphenyl)methanediimine is sourced from PubChem (CID 13747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).