1-(2,4-dichlorophenyl)-N-(furan-2-ylmethyl)methanimine

C12H9Cl2NO — CID 35182102

IUPAC1-(2,4-dichlorophenyl)-N-(furan-2-ylmethyl)methanimine
SMILESClc1ccc(/C=N/Cc2ccco2)c(Cl)c1
InChIInChI=1S/C12H9Cl2NO/c13-10-4-3-9(12(14)6-10)7-15-8-11-2-1-5-16-11/h1-7H,8H2/b15-7+
InChIKeyIXSSKWZKYWFWJU-VIZOYTHASA-N
MW254.12 g/mol
LogP4.21
Rot. Bonds3

About 1-(2,4-dichlorophenyl)-N-(furan-2-ylmethyl)methanimine

1-(2,4-dichlorophenyl)-N-(furan-2-ylmethyl)methanimine (PubChem CID 35182102) has the molecular formula C12H9Cl2NO and a molecular weight of 254.12 g/mol. Its IUPAC name is 1-(2,4-dichlorophenyl)-N-(furan-2-ylmethyl)methanimine.

Molecular Properties

Compound Name1-(2,4-dichlorophenyl)-N-(furan-2-ylmethyl)methanimine
PubChem CID35182102
Molecular FormulaC12H9Cl2NO
Molecular Weight254.12 g/mol
Exact Mass253.01
IUPAC Name1-(2,4-dichlorophenyl)-N-(furan-2-ylmethyl)methanimine
SMILESClc1ccc(/C=N/Cc2ccco2)c(Cl)c1
InChIInChI=1S/C12H9Cl2NO/c13-10-4-3-9(12(14)6-10)7-15-8-11-2-1-5-16-11/h1-7H,8H2/b15-7+
InChIKeyIXSSKWZKYWFWJU-VIZOYTHASA-N
XLogP4.21
TPSA25.50 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.12
LogP ≤ 54.21
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-(2,4-dichlorophenyl)-N-(furan-2-ylmethyl)methanimine?
The IUPAC name of 1-(2,4-dichlorophenyl)-N-(furan-2-ylmethyl)methanimine (CID 35182102) is 1-(2,4-dichlorophenyl)-N-(furan-2-ylmethyl)methanimine.
What is the SMILES notation for 1-(2,4-dichlorophenyl)-N-(furan-2-ylmethyl)methanimine?
The canonical SMILES for 1-(2,4-dichlorophenyl)-N-(furan-2-ylmethyl)methanimine is Clc1ccc(/C=N/Cc2ccco2)c(Cl)c1.
What is the InChIKey of 1-(2,4-dichlorophenyl)-N-(furan-2-ylmethyl)methanimine?
The InChIKey is IXSSKWZKYWFWJU-VIZOYTHASA-N. The full InChI is InChI=1S/C12H9Cl2NO/c13-10-4-3-9(12(14)6-10)7-15-8-11-2-1-5-16-11/h1-7H,8H2/b15-7+.
What are the key properties of 1-(2,4-dichlorophenyl)-N-(furan-2-ylmethyl)methanimine?
1-(2,4-dichlorophenyl)-N-(furan-2-ylmethyl)methanimine has a molecular weight of 254.12 g/mol, XLogP of 4.21, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dichlorophenyl)-N-(furan-2-ylmethyl)methanimine is sourced from PubChem (CID 35182102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).