1-(5-chloro-2-methoxyphenyl)-N-(3-chloro-4-methylphenyl)methanimine

C15H13Cl2NO — CID 833856

IUPAC1-(5-chloro-2-methoxyphenyl)-N-(3-chloro-4-methylphenyl)methanimine
SMILESCOc1ccc(Cl)cc1/C=N/c1ccc(C)c(Cl)c1
InChIInChI=1S/C15H13Cl2NO/c1-10-3-5-13(8-14(10)17)18-9-11-7-12(16)4-6-15(11)19-2/h3-9H,1-2H3/b18-9+
InChIKeyOKCUJJCFKXLRJQ-GIJQJNRQSA-N
MW294.18 g/mol
LogP5.06
Rot. Bonds3

About 1-(5-chloro-2-methoxyphenyl)-N-(3-chloro-4-methylphenyl)methanimine

1-(5-chloro-2-methoxyphenyl)-N-(3-chloro-4-methylphenyl)methanimine (PubChem CID 833856) has the molecular formula C15H13Cl2NO and a molecular weight of 294.18 g/mol. Its IUPAC name is 1-(5-chloro-2-methoxyphenyl)-N-(3-chloro-4-methylphenyl)methanimine.

Molecular Properties

Compound Name1-(5-chloro-2-methoxyphenyl)-N-(3-chloro-4-methylphenyl)methanimine
PubChem CID833856
Molecular FormulaC15H13Cl2NO
Molecular Weight294.18 g/mol
Exact Mass293.04
IUPAC Name1-(5-chloro-2-methoxyphenyl)-N-(3-chloro-4-methylphenyl)methanimine
SMILESCOc1ccc(Cl)cc1/C=N/c1ccc(C)c(Cl)c1
InChIInChI=1S/C15H13Cl2NO/c1-10-3-5-13(8-14(10)17)18-9-11-7-12(16)4-6-15(11)19-2/h3-9H,1-2H3/b18-9+
InChIKeyOKCUJJCFKXLRJQ-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

1-[5-chloro-2-[(4-chlorophenyl)methoxy]phenyl]-N-(3-chloro-4-methylphenyl)methanimine
CID 126214908
1-(2,4-dichlorophenyl)-N-(3,4-dimethoxyphenyl)methanimine
CID 5070824
4-bromo-2-[(3-chloro-4-methylphenyl)iminomethyl]-6-methoxyphenol
CID 135592590
2-[4-chloro-2-[(3-chloro-4-methylphenyl)iminomethyl]phenoxy]-N-(3-chloro-4-methylphenyl)acetamide
CID 126218997
N-(3-chloro-4-methylphenyl)-1-(3,5-dichloro-4-methoxyphenyl)methanimine
CID 126216572
N-(3-chloro-4-methylphenyl)-1-(3,5-dibromo-2-methoxyphenyl)methanimine
CID 126207516
1-[5-bromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]-N-(3,4-dimethylphenyl)methanimine
CID 126218660
4-[(3-chloro-4-methylphenyl)iminomethyl]-2-iodo-6-methoxyphenol
CID 137149832
2-[(3-chloro-4-methoxyphenyl)iminomethyl]phenol
CID 964874
1-(2,4-dichlorophenyl)-N-(3,4,5-trimethoxyphenyl)methanimine
CID 3899999
N-(3-chloro-4-fluorophenyl)-1-(3-methoxy-2-propan-2-yloxyphenyl)methanimine
CID 126021996
1-(5-chloro-2-ethoxyphenyl)-N-[4-(4-methoxyphenoxy)phenyl]methanimine
CID 126099886

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-methoxyphenyl)-N-(3-chloro-4-methylphenyl)methanimine?
The IUPAC name of 1-(5-chloro-2-methoxyphenyl)-N-(3-chloro-4-methylphenyl)methanimine (CID 833856) is 1-(5-chloro-2-methoxyphenyl)-N-(3-chloro-4-methylphenyl)methanimine.
What is the SMILES notation for 1-(5-chloro-2-methoxyphenyl)-N-(3-chloro-4-methylphenyl)methanimine?
The canonical SMILES for 1-(5-chloro-2-methoxyphenyl)-N-(3-chloro-4-methylphenyl)methanimine is COc1ccc(Cl)cc1/C=N/c1ccc(C)c(Cl)c1.
What is the InChIKey of 1-(5-chloro-2-methoxyphenyl)-N-(3-chloro-4-methylphenyl)methanimine?
The InChIKey is OKCUJJCFKXLRJQ-GIJQJNRQSA-N. The full InChI is InChI=1S/C15H13Cl2NO/c1-10-3-5-13(8-14(10)17)18-9-11-7-12(16)4-6-15(11)19-2/h3-9H,1-2H3/b18-9+.
What are the key properties of 1-(5-chloro-2-methoxyphenyl)-N-(3-chloro-4-methylphenyl)methanimine?
1-(5-chloro-2-methoxyphenyl)-N-(3-chloro-4-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-(5-chloro-2-methoxyphenyl)-N-(3-chloro-4-methylphenyl)methanimine is sourced from PubChem (CID 833856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).