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

C13H12BrNO — CID 956109

IUPACN-(3-bromophenyl)-1-(2,5-dimethylfuran-3-yl)methanimine
SMILESCc1cc(/C=N/c2cccc(Br)c2)c(C)o1
InChIInChI=1S/C13H12BrNO/c1-9-6-11(10(2)16-9)8-15-13-5-3-4-12(14)7-13/h3-8H,1-2H3/b15-8+
InChIKeyIUFIAAGTFHUHBM-OVCLIPMQSA-N
MW278.15 g/mol
LogP4.41
Rot. Bonds2

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

N-(3-bromophenyl)-1-(2,5-dimethylfuran-3-yl)methanimine (PubChem CID 956109) has the molecular formula C13H12BrNO and a molecular weight of 278.15 g/mol. Its IUPAC name is N-(3-bromophenyl)-1-(2,5-dimethylfuran-3-yl)methanimine.

Molecular Properties

Compound NameN-(3-bromophenyl)-1-(2,5-dimethylfuran-3-yl)methanimine
PubChem CID956109
Molecular FormulaC13H12BrNO
Molecular Weight278.15 g/mol
Exact Mass277.01
IUPAC NameN-(3-bromophenyl)-1-(2,5-dimethylfuran-3-yl)methanimine
SMILESCc1cc(/C=N/c2cccc(Br)c2)c(C)o1
InChIInChI=1S/C13H12BrNO/c1-9-6-11(10(2)16-9)8-15-13-5-3-4-12(14)7-13/h3-8H,1-2H3/b15-8+
InChIKeyIUFIAAGTFHUHBM-OVCLIPMQSA-N
XLogP4.41
TPSA25.50 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.15
LogP ≤ 54.41
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-(3-bromophenyl)-1-(2,5-dimethylfuran-3-yl)methanimine?
The IUPAC name of N-(3-bromophenyl)-1-(2,5-dimethylfuran-3-yl)methanimine (CID 956109) is N-(3-bromophenyl)-1-(2,5-dimethylfuran-3-yl)methanimine.
What is the SMILES notation for N-(3-bromophenyl)-1-(2,5-dimethylfuran-3-yl)methanimine?
The canonical SMILES for N-(3-bromophenyl)-1-(2,5-dimethylfuran-3-yl)methanimine is Cc1cc(/C=N/c2cccc(Br)c2)c(C)o1.
What is the InChIKey of N-(3-bromophenyl)-1-(2,5-dimethylfuran-3-yl)methanimine?
The InChIKey is IUFIAAGTFHUHBM-OVCLIPMQSA-N. The full InChI is InChI=1S/C13H12BrNO/c1-9-6-11(10(2)16-9)8-15-13-5-3-4-12(14)7-13/h3-8H,1-2H3/b15-8+.
What are the key properties of N-(3-bromophenyl)-1-(2,5-dimethylfuran-3-yl)methanimine?
N-(3-bromophenyl)-1-(2,5-dimethylfuran-3-yl)methanimine has a molecular weight of 278.15 g/mol, XLogP of 4.41, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromophenyl)-1-(2,5-dimethylfuran-3-yl)methanimine is sourced from PubChem (CID 956109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).