1-(furan-2-yl)-N-(4-methylphenyl)methanimine

C12H11NO — CID 899953

IUPAC1-(furan-2-yl)-N-(4-methylphenyl)methanimine
SMILESCc1ccc(/N=C/c2ccco2)cc1
InChIInChI=1S/C12H11NO/c1-10-4-6-11(7-5-10)13-9-12-3-2-8-14-12/h2-9H,1H3/b13-9+
InChIKeyDGEJSIQDHCQUSU-UKTHLTGXSA-N
MW185.23 g/mol
LogP3.34
Rot. Bonds2

About 1-(furan-2-yl)-N-(4-methylphenyl)methanimine

1-(furan-2-yl)-N-(4-methylphenyl)methanimine (PubChem CID 899953) has the molecular formula C12H11NO and a molecular weight of 185.23 g/mol. Its IUPAC name is 1-(furan-2-yl)-N-(4-methylphenyl)methanimine.

Molecular Properties

Compound Name1-(furan-2-yl)-N-(4-methylphenyl)methanimine
PubChem CID899953
Molecular FormulaC12H11NO
Molecular Weight185.23 g/mol
Exact Mass185.08
IUPAC Name1-(furan-2-yl)-N-(4-methylphenyl)methanimine
SMILESCc1ccc(/N=C/c2ccco2)cc1
InChIInChI=1S/C12H11NO/c1-10-4-6-11(7-5-10)13-9-12-3-2-8-14-12/h2-9H,1H3/b13-9+
InChIKeyDGEJSIQDHCQUSU-UKTHLTGXSA-N
XLogP3.34
TPSA25.50 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.23
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 1-(furan-2-yl)-N-(4-methylphenyl)methanimine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-yl)-N-(4-methylphenyl)methanimine?
The IUPAC name of 1-(furan-2-yl)-N-(4-methylphenyl)methanimine (CID 899953) is 1-(furan-2-yl)-N-(4-methylphenyl)methanimine.
What is the SMILES notation for 1-(furan-2-yl)-N-(4-methylphenyl)methanimine?
The canonical SMILES for 1-(furan-2-yl)-N-(4-methylphenyl)methanimine is Cc1ccc(/N=C/c2ccco2)cc1.
What is the InChIKey of 1-(furan-2-yl)-N-(4-methylphenyl)methanimine?
The InChIKey is DGEJSIQDHCQUSU-UKTHLTGXSA-N. The full InChI is InChI=1S/C12H11NO/c1-10-4-6-11(7-5-10)13-9-12-3-2-8-14-12/h2-9H,1H3/b13-9+.
What are the key properties of 1-(furan-2-yl)-N-(4-methylphenyl)methanimine?
1-(furan-2-yl)-N-(4-methylphenyl)methanimine has a molecular weight of 185.23 g/mol, XLogP of 3.34, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-yl)-N-(4-methylphenyl)methanimine is sourced from PubChem (CID 899953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).