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

C13H12ClNO — CID 956107

IUPACN-(2-chlorophenyl)-1-(2,5-dimethylfuran-3-yl)methanimine
SMILESCc1cc(/C=N/c2ccccc2Cl)c(C)o1
InChIInChI=1S/C13H12ClNO/c1-9-7-11(10(2)16-9)8-15-13-6-4-3-5-12(13)14/h3-8H,1-2H3/b15-8+
InChIKeyLEKUJNIXVDBALZ-OVCLIPMQSA-N
MW233.70 g/mol
LogP4.30
Rot. Bonds2

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

N-(2-chlorophenyl)-1-(2,5-dimethylfuran-3-yl)methanimine (PubChem CID 956107) has the molecular formula C13H12ClNO and a molecular weight of 233.70 g/mol. Its IUPAC name is N-(2-chlorophenyl)-1-(2,5-dimethylfuran-3-yl)methanimine.

Molecular Properties

Compound NameN-(2-chlorophenyl)-1-(2,5-dimethylfuran-3-yl)methanimine
PubChem CID956107
Molecular FormulaC13H12ClNO
Molecular Weight233.70 g/mol
Exact Mass233.06
IUPAC NameN-(2-chlorophenyl)-1-(2,5-dimethylfuran-3-yl)methanimine
SMILESCc1cc(/C=N/c2ccccc2Cl)c(C)o1
InChIInChI=1S/C13H12ClNO/c1-9-7-11(10(2)16-9)8-15-13-6-4-3-5-12(13)14/h3-8H,1-2H3/b15-8+
InChIKeyLEKUJNIXVDBALZ-OVCLIPMQSA-N
XLogP4.30
TPSA25.50 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.70
LogP ≤ 54.30
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-chlorophenyl)-1-(2,5-dimethylfuran-3-yl)methanimine?
The IUPAC name of N-(2-chlorophenyl)-1-(2,5-dimethylfuran-3-yl)methanimine (CID 956107) is N-(2-chlorophenyl)-1-(2,5-dimethylfuran-3-yl)methanimine.
What is the SMILES notation for N-(2-chlorophenyl)-1-(2,5-dimethylfuran-3-yl)methanimine?
The canonical SMILES for N-(2-chlorophenyl)-1-(2,5-dimethylfuran-3-yl)methanimine is Cc1cc(/C=N/c2ccccc2Cl)c(C)o1.
What is the InChIKey of N-(2-chlorophenyl)-1-(2,5-dimethylfuran-3-yl)methanimine?
The InChIKey is LEKUJNIXVDBALZ-OVCLIPMQSA-N. The full InChI is InChI=1S/C13H12ClNO/c1-9-7-11(10(2)16-9)8-15-13-6-4-3-5-12(13)14/h3-8H,1-2H3/b15-8+.
What are the key properties of N-(2-chlorophenyl)-1-(2,5-dimethylfuran-3-yl)methanimine?
N-(2-chlorophenyl)-1-(2,5-dimethylfuran-3-yl)methanimine has a molecular weight of 233.70 g/mol, XLogP of 4.30, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-1-(2,5-dimethylfuran-3-yl)methanimine is sourced from PubChem (CID 956107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).