1-(2,6-dichlorophenyl)-N-[(E)-(2-methylphenyl)methylideneamino]methanamine

C15H14Cl2N2 — CID 19060201

IUPAC1-(2,6-dichlorophenyl)-N-[(E)-(2-methylphenyl)methylideneamino]methanamine
SMILESCc1ccccc1/C=N/NCc1c(Cl)cccc1Cl
InChIInChI=1S/C15H14Cl2N2/c1-11-5-2-3-6-12(11)9-18-19-10-13-14(16)7-4-8-15(13)17/h2-9,19H,10H2,1H3/b18-9+
InChIKeyTYFPHRBAVKJCNL-GIJQJNRQSA-N
MW293.20 g/mol
LogP4.43
Rot. Bonds4

About 1-(2,6-dichlorophenyl)-N-[(E)-(2-methylphenyl)methylideneamino]methanamine

1-(2,6-dichlorophenyl)-N-[(E)-(2-methylphenyl)methylideneamino]methanamine (PubChem CID 19060201) has the molecular formula C15H14Cl2N2 and a molecular weight of 293.20 g/mol. Its IUPAC name is 1-(2,6-dichlorophenyl)-N-[(E)-(2-methylphenyl)methylideneamino]methanamine.

Molecular Properties

Compound Name1-(2,6-dichlorophenyl)-N-[(E)-(2-methylphenyl)methylideneamino]methanamine
PubChem CID19060201
Molecular FormulaC15H14Cl2N2
Molecular Weight293.20 g/mol
Exact Mass292.05
IUPAC Name1-(2,6-dichlorophenyl)-N-[(E)-(2-methylphenyl)methylideneamino]methanamine
SMILESCc1ccccc1/C=N/NCc1c(Cl)cccc1Cl
InChIInChI=1S/C15H14Cl2N2/c1-11-5-2-3-6-12(11)9-18-19-10-13-14(16)7-4-8-15(13)17/h2-9,19H,10H2,1H3/b18-9+
InChIKeyTYFPHRBAVKJCNL-GIJQJNRQSA-N
XLogP4.43
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.20
LogP ≤ 54.43
H-Bond Donors ≤ 51
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

N-[(E)-[1-(2-chlorophenyl)-2,5-dimethylpyrrol-3-yl]methylideneamino]-1-(2,6-dichlorophenyl)methanamine
CID 19060162
1-(2,6-dichlorophenyl)-N-[(E)-(1-methylindol-3-yl)methylideneamino]methanamine
CID 19060080
1-(2,6-dichlorophenyl)-N-[(Z)-1H-indol-3-ylmethylideneamino]methanamine
CID 136822601
1-(2,6-dichlorophenyl)-N-[(E)-[1-(2-iodophenyl)-2,5-dimethylpyrrol-3-yl]methylideneamino]methanamine
CID 19060172
2-chloro-N-[(2-methylphenyl)methylideneamino]benzamide
CID 775121
N-[(E)-[1-(4-chlorophenyl)-2,5-dimethylpyrrol-3-yl]methylideneamino]-1-(2,6-dichlorophenyl)methanamine
CID 19060164
N'-[(E)-(2-chlorophenyl)methylideneamino]methanediamine
CID 138486916
2-(2-chloroanilino)-N-[(2-methylphenyl)methylideneamino]acetamide
CID 968113
1-(2,6-dichlorophenyl)-N-[(E)-(4-ethoxyphenyl)methylideneamino]methanamine
CID 19059891
3-chloro-4-methoxy-N-[(E)-(2-methylphenyl)methylideneamino]aniline
CID 110505388
N-[(4-chlorophenyl)methyl]-N'-[(Z)-(2-methylphenyl)methylideneamino]oxamide
CID 8898840
N-[(E)-[5-chloro-2-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-1-(2,6-dichlorophenyl)methanamine
CID 19060225

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dichlorophenyl)-N-[(E)-(2-methylphenyl)methylideneamino]methanamine?
The IUPAC name of 1-(2,6-dichlorophenyl)-N-[(E)-(2-methylphenyl)methylideneamino]methanamine (CID 19060201) is 1-(2,6-dichlorophenyl)-N-[(E)-(2-methylphenyl)methylideneamino]methanamine.
What is the SMILES notation for 1-(2,6-dichlorophenyl)-N-[(E)-(2-methylphenyl)methylideneamino]methanamine?
The canonical SMILES for 1-(2,6-dichlorophenyl)-N-[(E)-(2-methylphenyl)methylideneamino]methanamine is Cc1ccccc1/C=N/NCc1c(Cl)cccc1Cl.
What is the InChIKey of 1-(2,6-dichlorophenyl)-N-[(E)-(2-methylphenyl)methylideneamino]methanamine?
The InChIKey is TYFPHRBAVKJCNL-GIJQJNRQSA-N. The full InChI is InChI=1S/C15H14Cl2N2/c1-11-5-2-3-6-12(11)9-18-19-10-13-14(16)7-4-8-15(13)17/h2-9,19H,10H2,1H3/b18-9+.
What are the key properties of 1-(2,6-dichlorophenyl)-N-[(E)-(2-methylphenyl)methylideneamino]methanamine?
1-(2,6-dichlorophenyl)-N-[(E)-(2-methylphenyl)methylideneamino]methanamine has a molecular weight of 293.20 g/mol, XLogP of 4.43, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dichlorophenyl)-N-[(E)-(2-methylphenyl)methylideneamino]methanamine is sourced from PubChem (CID 19060201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).