N-(2,4-dichlorophenyl)-1-(2,5-dimethylfuran-3-yl)methanimine

C13H11Cl2NO — CID 956104

IUPACN-(2,4-dichlorophenyl)-1-(2,5-dimethylfuran-3-yl)methanimine
SMILESCc1cc(/C=N/c2ccc(Cl)cc2Cl)c(C)o1
InChIInChI=1S/C13H11Cl2NO/c1-8-5-10(9(2)17-8)7-16-13-4-3-11(14)6-12(13)15/h3-7H,1-2H3/b16-7+
InChIKeyDBDYEDVYZPOLAA-FRKPEAEDSA-N
MW268.14 g/mol
LogP4.95
Rot. Bonds2

About N-(2,4-dichlorophenyl)-1-(2,5-dimethylfuran-3-yl)methanimine

N-(2,4-dichlorophenyl)-1-(2,5-dimethylfuran-3-yl)methanimine (PubChem CID 956104) has the molecular formula C13H11Cl2NO and a molecular weight of 268.14 g/mol. Its IUPAC name is N-(2,4-dichlorophenyl)-1-(2,5-dimethylfuran-3-yl)methanimine.

Molecular Properties

Compound NameN-(2,4-dichlorophenyl)-1-(2,5-dimethylfuran-3-yl)methanimine
PubChem CID956104
Molecular FormulaC13H11Cl2NO
Molecular Weight268.14 g/mol
Exact Mass267.02
IUPAC NameN-(2,4-dichlorophenyl)-1-(2,5-dimethylfuran-3-yl)methanimine
SMILESCc1cc(/C=N/c2ccc(Cl)cc2Cl)c(C)o1
InChIInChI=1S/C13H11Cl2NO/c1-8-5-10(9(2)17-8)7-16-13-4-3-11(14)6-12(13)15/h3-7H,1-2H3/b16-7+
InChIKeyDBDYEDVYZPOLAA-FRKPEAEDSA-N
XLogP4.95
TPSA25.50 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.14
LogP ≤ 54.95
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 N-(2,4-dichlorophenyl)-1-(2,5-dimethylfuran-3-yl)methanimine?
The IUPAC name of N-(2,4-dichlorophenyl)-1-(2,5-dimethylfuran-3-yl)methanimine (CID 956104) is N-(2,4-dichlorophenyl)-1-(2,5-dimethylfuran-3-yl)methanimine.
What is the SMILES notation for N-(2,4-dichlorophenyl)-1-(2,5-dimethylfuran-3-yl)methanimine?
The canonical SMILES for N-(2,4-dichlorophenyl)-1-(2,5-dimethylfuran-3-yl)methanimine is Cc1cc(/C=N/c2ccc(Cl)cc2Cl)c(C)o1.
What is the InChIKey of N-(2,4-dichlorophenyl)-1-(2,5-dimethylfuran-3-yl)methanimine?
The InChIKey is DBDYEDVYZPOLAA-FRKPEAEDSA-N. The full InChI is InChI=1S/C13H11Cl2NO/c1-8-5-10(9(2)17-8)7-16-13-4-3-11(14)6-12(13)15/h3-7H,1-2H3/b16-7+.
What are the key properties of N-(2,4-dichlorophenyl)-1-(2,5-dimethylfuran-3-yl)methanimine?
N-(2,4-dichlorophenyl)-1-(2,5-dimethylfuran-3-yl)methanimine has a molecular weight of 268.14 g/mol, XLogP of 4.95, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dichlorophenyl)-1-(2,5-dimethylfuran-3-yl)methanimine is sourced from PubChem (CID 956104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).