1-(2,4-dichlorophenyl)-N-(2-methoxyphenyl)methanimine

C14H11Cl2NO — CID 4521253

IUPAC1-(2,4-dichlorophenyl)-N-(2-methoxyphenyl)methanimine
SMILESCOc1ccccc1/N=C/c1ccc(Cl)cc1Cl
InChIInChI=1S/C14H11Cl2NO/c1-18-14-5-3-2-4-13(14)17-9-10-6-7-11(15)8-12(10)16/h2-9H,1H3/b17-9+
InChIKeyLCBJOCQRTFOACV-RQZCQDPDSA-N
MW280.15 g/mol
LogP4.75
Rot. Bonds3

About 1-(2,4-dichlorophenyl)-N-(2-methoxyphenyl)methanimine

1-(2,4-dichlorophenyl)-N-(2-methoxyphenyl)methanimine (PubChem CID 4521253) has the molecular formula C14H11Cl2NO and a molecular weight of 280.15 g/mol. Its IUPAC name is 1-(2,4-dichlorophenyl)-N-(2-methoxyphenyl)methanimine.

Molecular Properties

Compound Name1-(2,4-dichlorophenyl)-N-(2-methoxyphenyl)methanimine
PubChem CID4521253
Molecular FormulaC14H11Cl2NO
Molecular Weight280.15 g/mol
Exact Mass279.02
IUPAC Name1-(2,4-dichlorophenyl)-N-(2-methoxyphenyl)methanimine
SMILESCOc1ccccc1/N=C/c1ccc(Cl)cc1Cl
InChIInChI=1S/C14H11Cl2NO/c1-18-14-5-3-2-4-13(14)17-9-10-6-7-11(15)8-12(10)16/h2-9H,1H3/b17-9+
InChIKeyLCBJOCQRTFOACV-RQZCQDPDSA-N
XLogP4.75
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.15
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dichlorophenyl)-N-(2-methoxyphenyl)methanimine?
The IUPAC name of 1-(2,4-dichlorophenyl)-N-(2-methoxyphenyl)methanimine (CID 4521253) is 1-(2,4-dichlorophenyl)-N-(2-methoxyphenyl)methanimine.
What is the SMILES notation for 1-(2,4-dichlorophenyl)-N-(2-methoxyphenyl)methanimine?
The canonical SMILES for 1-(2,4-dichlorophenyl)-N-(2-methoxyphenyl)methanimine is COc1ccccc1/N=C/c1ccc(Cl)cc1Cl.
What is the InChIKey of 1-(2,4-dichlorophenyl)-N-(2-methoxyphenyl)methanimine?
The InChIKey is LCBJOCQRTFOACV-RQZCQDPDSA-N. The full InChI is InChI=1S/C14H11Cl2NO/c1-18-14-5-3-2-4-13(14)17-9-10-6-7-11(15)8-12(10)16/h2-9H,1H3/b17-9+.
What are the key properties of 1-(2,4-dichlorophenyl)-N-(2-methoxyphenyl)methanimine?
1-(2,4-dichlorophenyl)-N-(2-methoxyphenyl)methanimine has a molecular weight of 280.15 g/mol, XLogP of 4.75, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dichlorophenyl)-N-(2-methoxyphenyl)methanimine is sourced from PubChem (CID 4521253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).