N-(3,4-dimethylphenyl)-1-(furan-2-yl)methanimine

C13H13NO — CID 961444

IUPACN-(3,4-dimethylphenyl)-1-(furan-2-yl)methanimine
SMILESCc1ccc(/N=C/c2ccco2)cc1C
InChIInChI=1S/C13H13NO/c1-10-5-6-12(8-11(10)2)14-9-13-4-3-7-15-13/h3-9H,1-2H3/b14-9+
InChIKeyJWXSWNDGBLIFDE-NTEUORMPSA-N
MW199.25 g/mol
LogP3.65
Rot. Bonds2

About N-(3,4-dimethylphenyl)-1-(furan-2-yl)methanimine

N-(3,4-dimethylphenyl)-1-(furan-2-yl)methanimine (PubChem CID 961444) has the molecular formula C13H13NO and a molecular weight of 199.25 g/mol. Its IUPAC name is N-(3,4-dimethylphenyl)-1-(furan-2-yl)methanimine.

Molecular Properties

Compound NameN-(3,4-dimethylphenyl)-1-(furan-2-yl)methanimine
PubChem CID961444
Molecular FormulaC13H13NO
Molecular Weight199.25 g/mol
Exact Mass199.10
IUPAC NameN-(3,4-dimethylphenyl)-1-(furan-2-yl)methanimine
SMILESCc1ccc(/N=C/c2ccco2)cc1C
InChIInChI=1S/C13H13NO/c1-10-5-6-12(8-11(10)2)14-9-13-4-3-7-15-13/h3-9H,1-2H3/b14-9+
InChIKeyJWXSWNDGBLIFDE-NTEUORMPSA-N
XLogP3.65
TPSA25.50 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 53.65
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-(3,4-dimethylphenyl)-1-(furan-2-yl)methanimine?
The IUPAC name of N-(3,4-dimethylphenyl)-1-(furan-2-yl)methanimine (CID 961444) is N-(3,4-dimethylphenyl)-1-(furan-2-yl)methanimine.
What is the SMILES notation for N-(3,4-dimethylphenyl)-1-(furan-2-yl)methanimine?
The canonical SMILES for N-(3,4-dimethylphenyl)-1-(furan-2-yl)methanimine is Cc1ccc(/N=C/c2ccco2)cc1C.
What is the InChIKey of N-(3,4-dimethylphenyl)-1-(furan-2-yl)methanimine?
The InChIKey is JWXSWNDGBLIFDE-NTEUORMPSA-N. The full InChI is InChI=1S/C13H13NO/c1-10-5-6-12(8-11(10)2)14-9-13-4-3-7-15-13/h3-9H,1-2H3/b14-9+.
What are the key properties of N-(3,4-dimethylphenyl)-1-(furan-2-yl)methanimine?
N-(3,4-dimethylphenyl)-1-(furan-2-yl)methanimine has a molecular weight of 199.25 g/mol, XLogP of 3.65, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethylphenyl)-1-(furan-2-yl)methanimine is sourced from PubChem (CID 961444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).