1-(2-chloro-6-methylphenyl)-N-(methylideneamino)methanimine

C9H9ClN2 — CID 90822812

IUPAC1-(2-chloro-6-methylphenyl)-N-(methylideneamino)methanimine
SMILESC=NN=Cc1c(C)cccc1Cl
InChIInChI=1S/C9H9ClN2/c1-7-4-3-5-9(10)8(7)6-12-11-2/h3-6H,2H2,1H3
InChIKeyZDZCBQKTBCFRFA-UHFFFAOYSA-N
MW180.64 g/mol
LogP2.68
Rot. Bonds2

About 1-(2-chloro-6-methylphenyl)-N-(methylideneamino)methanimine

1-(2-chloro-6-methylphenyl)-N-(methylideneamino)methanimine (PubChem CID 90822812) has the molecular formula C9H9ClN2 and a molecular weight of 180.64 g/mol. Its IUPAC name is 1-(2-chloro-6-methylphenyl)-N-(methylideneamino)methanimine.

Molecular Properties

Compound Name1-(2-chloro-6-methylphenyl)-N-(methylideneamino)methanimine
PubChem CID90822812
Molecular FormulaC9H9ClN2
Molecular Weight180.64 g/mol
Exact Mass180.05
IUPAC Name1-(2-chloro-6-methylphenyl)-N-(methylideneamino)methanimine
SMILESC=NN=Cc1c(C)cccc1Cl
InChIInChI=1S/C9H9ClN2/c1-7-4-3-5-9(10)8(7)6-12-11-2/h3-6H,2H2,1H3
InChIKeyZDZCBQKTBCFRFA-UHFFFAOYSA-N
XLogP2.68
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.64
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

1-(2-chloro-6-methylphenyl)-N-(3,4-dihydro-2H-pyrrol-5-ylmethyl)methanimine
CID 157177558
1-chloro-3-methyl-2-(2-methylprop-1-enyl)benzene
CID 134266599
N-[(2-chloro-6-methylphenyl)methylidene]-2-methylpropane-2-sulfinamide
CID 171337628
1-chloro-2-[(E)-2-methoxyethenyl]-3-methylbenzene
CID 167712978
2-chloro-N-[(Z)-(2,6-dimethylphenyl)methylideneamino]benzamide
CID 7416956
N-[(Z)-(2,6-dichlorophenyl)methylideneamino]-2-methylbenzamide
CID 5418287
1-[(2,6-dichlorophenyl)methylideneamino]ethanol
CID 56981300
2-[(2,6-dimethylphenyl)methylideneamino]guanidine
CID 72725816
1-chloro-3-methyl-2-nitrosobenzene
CID 89289112
1-chloro-2-methylbenzene;ethene
CID 142088810
[(Z)-(2,6-dichlorophenyl)methylideneamino]-trimethylazanium
CID 124926466
acetic acid;2-[(2-chloro-6-methylphenyl)methylideneamino]ethanimidamide
CID 158239944

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-6-methylphenyl)-N-(methylideneamino)methanimine?
The IUPAC name of 1-(2-chloro-6-methylphenyl)-N-(methylideneamino)methanimine (CID 90822812) is 1-(2-chloro-6-methylphenyl)-N-(methylideneamino)methanimine.
What is the SMILES notation for 1-(2-chloro-6-methylphenyl)-N-(methylideneamino)methanimine?
The canonical SMILES for 1-(2-chloro-6-methylphenyl)-N-(methylideneamino)methanimine is C=NN=Cc1c(C)cccc1Cl.
What is the InChIKey of 1-(2-chloro-6-methylphenyl)-N-(methylideneamino)methanimine?
The InChIKey is ZDZCBQKTBCFRFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClN2/c1-7-4-3-5-9(10)8(7)6-12-11-2/h3-6H,2H2,1H3.
What are the key properties of 1-(2-chloro-6-methylphenyl)-N-(methylideneamino)methanimine?
1-(2-chloro-6-methylphenyl)-N-(methylideneamino)methanimine has a molecular weight of 180.64 g/mol, XLogP of 2.68, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-6-methylphenyl)-N-(methylideneamino)methanimine is sourced from PubChem (CID 90822812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).