1-(5-chlorofuran-2-yl)-N-(4-methylphenyl)methanimine

C12H10ClNO — CID 14006827

IUPAC1-(5-chlorofuran-2-yl)-N-(4-methylphenyl)methanimine
SMILESCc1ccc(/N=C/c2ccc(Cl)o2)cc1
InChIInChI=1S/C12H10ClNO/c1-9-2-4-10(5-3-9)14-8-11-6-7-12(13)15-11/h2-8H,1H3/b14-8+
InChIKeyVUPKQIDEYXWRCC-RIYZIHGNSA-N
MW219.67 g/mol
LogP3.99
Rot. Bonds2

About 1-(5-chlorofuran-2-yl)-N-(4-methylphenyl)methanimine

1-(5-chlorofuran-2-yl)-N-(4-methylphenyl)methanimine (PubChem CID 14006827) has the molecular formula C12H10ClNO and a molecular weight of 219.67 g/mol. Its IUPAC name is 1-(5-chlorofuran-2-yl)-N-(4-methylphenyl)methanimine.

Molecular Properties

Compound Name1-(5-chlorofuran-2-yl)-N-(4-methylphenyl)methanimine
PubChem CID14006827
Molecular FormulaC12H10ClNO
Molecular Weight219.67 g/mol
Exact Mass219.05
IUPAC Name1-(5-chlorofuran-2-yl)-N-(4-methylphenyl)methanimine
SMILESCc1ccc(/N=C/c2ccc(Cl)o2)cc1
InChIInChI=1S/C12H10ClNO/c1-9-2-4-10(5-3-9)14-8-11-6-7-12(13)15-11/h2-8H,1H3/b14-8+
InChIKeyVUPKQIDEYXWRCC-RIYZIHGNSA-N
XLogP3.99
TPSA25.50 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.67
LogP ≤ 53.99
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 1-(5-chlorofuran-2-yl)-N-(4-methylphenyl)methanimine?
The IUPAC name of 1-(5-chlorofuran-2-yl)-N-(4-methylphenyl)methanimine (CID 14006827) is 1-(5-chlorofuran-2-yl)-N-(4-methylphenyl)methanimine.
What is the SMILES notation for 1-(5-chlorofuran-2-yl)-N-(4-methylphenyl)methanimine?
The canonical SMILES for 1-(5-chlorofuran-2-yl)-N-(4-methylphenyl)methanimine is Cc1ccc(/N=C/c2ccc(Cl)o2)cc1.
What is the InChIKey of 1-(5-chlorofuran-2-yl)-N-(4-methylphenyl)methanimine?
The InChIKey is VUPKQIDEYXWRCC-RIYZIHGNSA-N. The full InChI is InChI=1S/C12H10ClNO/c1-9-2-4-10(5-3-9)14-8-11-6-7-12(13)15-11/h2-8H,1H3/b14-8+.
What are the key properties of 1-(5-chlorofuran-2-yl)-N-(4-methylphenyl)methanimine?
1-(5-chlorofuran-2-yl)-N-(4-methylphenyl)methanimine has a molecular weight of 219.67 g/mol, XLogP of 3.99, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chlorofuran-2-yl)-N-(4-methylphenyl)methanimine is sourced from PubChem (CID 14006827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).