N-(2,6-dimethylphenyl)-1-(furan-2-yl)methanimine

C13H13NO — CID 3016834

IUPACN-(2,6-dimethylphenyl)-1-(furan-2-yl)methanimine
SMILESCc1cccc(C)c1/N=C/c1ccco1
InChIInChI=1S/C13H13NO/c1-10-5-3-6-11(2)13(10)14-9-12-7-4-8-15-12/h3-9H,1-2H3/b14-9+
InChIKeyBBTZBLUAUOIJAB-NTEUORMPSA-N
MW199.25 g/mol
LogP3.65
Rot. Bonds2

About N-(2,6-dimethylphenyl)-1-(furan-2-yl)methanimine

N-(2,6-dimethylphenyl)-1-(furan-2-yl)methanimine (PubChem CID 3016834) has the molecular formula C13H13NO and a molecular weight of 199.25 g/mol. Its IUPAC name is N-(2,6-dimethylphenyl)-1-(furan-2-yl)methanimine.

Molecular Properties

Compound NameN-(2,6-dimethylphenyl)-1-(furan-2-yl)methanimine
PubChem CID3016834
Molecular FormulaC13H13NO
Molecular Weight199.25 g/mol
Exact Mass199.10
IUPAC NameN-(2,6-dimethylphenyl)-1-(furan-2-yl)methanimine
SMILESCc1cccc(C)c1/N=C/c1ccco1
InChIInChI=1S/C13H13NO/c1-10-5-3-6-11(2)13(10)14-9-12-7-4-8-15-12/h3-9H,1-2H3/b14-9+
InChIKeyBBTZBLUAUOIJAB-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-(2,6-dimethylphenyl)-1-(furan-2-yl)methanimine?
The IUPAC name of N-(2,6-dimethylphenyl)-1-(furan-2-yl)methanimine (CID 3016834) is N-(2,6-dimethylphenyl)-1-(furan-2-yl)methanimine.
What is the SMILES notation for N-(2,6-dimethylphenyl)-1-(furan-2-yl)methanimine?
The canonical SMILES for N-(2,6-dimethylphenyl)-1-(furan-2-yl)methanimine is Cc1cccc(C)c1/N=C/c1ccco1.
What is the InChIKey of N-(2,6-dimethylphenyl)-1-(furan-2-yl)methanimine?
The InChIKey is BBTZBLUAUOIJAB-NTEUORMPSA-N. The full InChI is InChI=1S/C13H13NO/c1-10-5-3-6-11(2)13(10)14-9-12-7-4-8-15-12/h3-9H,1-2H3/b14-9+.
What are the key properties of N-(2,6-dimethylphenyl)-1-(furan-2-yl)methanimine?
N-(2,6-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-(2,6-dimethylphenyl)-1-(furan-2-yl)methanimine is sourced from PubChem (CID 3016834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).