1-(3,5-dichloro-2-methoxyphenyl)-N-(2-methylphenyl)methanimine

C15H13Cl2NO — CID 4779316

IUPAC1-(3,5-dichloro-2-methoxyphenyl)-N-(2-methylphenyl)methanimine
SMILESCOc1c(Cl)cc(Cl)cc1/C=N/c1ccccc1C
InChIInChI=1S/C15H13Cl2NO/c1-10-5-3-4-6-14(10)18-9-11-7-12(16)8-13(17)15(11)19-2/h3-9H,1-2H3/b18-9+
InChIKeyXHWAXLFDCGJRAS-GIJQJNRQSA-N
MW294.18 g/mol
LogP5.06
Rot. Bonds3

About 1-(3,5-dichloro-2-methoxyphenyl)-N-(2-methylphenyl)methanimine

1-(3,5-dichloro-2-methoxyphenyl)-N-(2-methylphenyl)methanimine (PubChem CID 4779316) has the molecular formula C15H13Cl2NO and a molecular weight of 294.18 g/mol. Its IUPAC name is 1-(3,5-dichloro-2-methoxyphenyl)-N-(2-methylphenyl)methanimine.

Molecular Properties

Compound Name1-(3,5-dichloro-2-methoxyphenyl)-N-(2-methylphenyl)methanimine
PubChem CID4779316
Molecular FormulaC15H13Cl2NO
Molecular Weight294.18 g/mol
Exact Mass293.04
IUPAC Name1-(3,5-dichloro-2-methoxyphenyl)-N-(2-methylphenyl)methanimine
SMILESCOc1c(Cl)cc(Cl)cc1/C=N/c1ccccc1C
InChIInChI=1S/C15H13Cl2NO/c1-10-5-3-4-6-14(10)18-9-11-7-12(16)8-13(17)15(11)19-2/h3-9H,1-2H3/b18-9+
InChIKeyXHWAXLFDCGJRAS-GIJQJNRQSA-N
XLogP5.06
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500294.18
LogP ≤ 55.06
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

N-(2-chlorophenyl)-1-(3,5-dichloro-2-methoxyphenyl)methanimine
CID 4779300
1-[5-chloro-2-[(2,4-dichlorophenyl)methoxy]phenyl]-N-(2-methylphenyl)methanimine
CID 126225144
1-[3,5-dichloro-4-[(2-chlorophenyl)methoxy]phenyl]-N-(2-methylphenyl)methanimine
CID 126226443
1-(2-ethenylphenyl)-N-(2-methylphenyl)methanimine
CID 145489460
N-(5-chloro-2-methylphenyl)-1-(2-chlorophenyl)methanimine
CID 4191286
(E)-1-(3,5-dichloro-2-methoxyphenyl)-N-(3-methylsulfanyl-5-phenyl-1,2,4-triazol-4-yl)methanimine
CID 6894640
1-(6-methoxy-1,3-benzodioxol-5-yl)-N-(2-methylphenyl)methanimine
CID 126101527
2,4-dichloro-6-[(2,5-dimethylphenyl)iminomethyl]phenol
CID 710319
[2,4-dichloro-6-[(4-chloro-2,5-dimethoxyphenyl)iminomethyl]phenyl] 4-methylbenzenesulfonate
CID 2742135
1-[3-chloro-4-(2,4-dinitrophenoxy)-5-methoxyphenyl]-N-(2-methylphenyl)methanimine
CID 126218866
2-[2-chloro-6-methoxy-4-[(2-methylphenyl)iminomethyl]phenoxy]-N-phenylacetamide
CID 126218854
N-(3-chloro-4-methylphenyl)-1-(3,5-dichloro-4-methoxyphenyl)methanimine
CID 126216572

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dichloro-2-methoxyphenyl)-N-(2-methylphenyl)methanimine?
The IUPAC name of 1-(3,5-dichloro-2-methoxyphenyl)-N-(2-methylphenyl)methanimine (CID 4779316) is 1-(3,5-dichloro-2-methoxyphenyl)-N-(2-methylphenyl)methanimine.
What is the SMILES notation for 1-(3,5-dichloro-2-methoxyphenyl)-N-(2-methylphenyl)methanimine?
The canonical SMILES for 1-(3,5-dichloro-2-methoxyphenyl)-N-(2-methylphenyl)methanimine is COc1c(Cl)cc(Cl)cc1/C=N/c1ccccc1C.
What is the InChIKey of 1-(3,5-dichloro-2-methoxyphenyl)-N-(2-methylphenyl)methanimine?
The InChIKey is XHWAXLFDCGJRAS-GIJQJNRQSA-N. The full InChI is InChI=1S/C15H13Cl2NO/c1-10-5-3-4-6-14(10)18-9-11-7-12(16)8-13(17)15(11)19-2/h3-9H,1-2H3/b18-9+.
What are the key properties of 1-(3,5-dichloro-2-methoxyphenyl)-N-(2-methylphenyl)methanimine?
1-(3,5-dichloro-2-methoxyphenyl)-N-(2-methylphenyl)methanimine has a molecular weight of 294.18 g/mol, XLogP of 5.06, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dichloro-2-methoxyphenyl)-N-(2-methylphenyl)methanimine is sourced from PubChem (CID 4779316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).