N-(4-chlorophenyl)-1-(2,4-dimethoxyphenyl)methanimine

C15H14ClNO2 — CID 590991

IUPACN-(4-chlorophenyl)-1-(2,4-dimethoxyphenyl)methanimine
SMILESCOc1ccc(/C=N/c2ccc(Cl)cc2)c(OC)c1
InChIInChI=1S/C15H14ClNO2/c1-18-14-8-3-11(15(9-14)19-2)10-17-13-6-4-12(16)5-7-13/h3-10H,1-2H3/b17-10+
InChIKeyFUNXYTRWNRFJMN-LICLKQGHSA-N
MW275.74 g/mol
LogP4.11
Rot. Bonds4

About N-(4-chlorophenyl)-1-(2,4-dimethoxyphenyl)methanimine

N-(4-chlorophenyl)-1-(2,4-dimethoxyphenyl)methanimine (PubChem CID 590991) has the molecular formula C15H14ClNO2 and a molecular weight of 275.74 g/mol. Its IUPAC name is N-(4-chlorophenyl)-1-(2,4-dimethoxyphenyl)methanimine.

Molecular Properties

Compound NameN-(4-chlorophenyl)-1-(2,4-dimethoxyphenyl)methanimine
PubChem CID590991
Molecular FormulaC15H14ClNO2
Molecular Weight275.74 g/mol
Exact Mass275.07
IUPAC NameN-(4-chlorophenyl)-1-(2,4-dimethoxyphenyl)methanimine
SMILESCOc1ccc(/C=N/c2ccc(Cl)cc2)c(OC)c1
InChIInChI=1S/C15H14ClNO2/c1-18-14-8-3-11(15(9-14)19-2)10-17-13-6-4-12(16)5-7-13/h3-10H,1-2H3/b17-10+
InChIKeyFUNXYTRWNRFJMN-LICLKQGHSA-N
XLogP4.11
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.74
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-(4-chlorophenyl)-1-(2,4-dimethoxyphenyl)methanimine?
The IUPAC name of N-(4-chlorophenyl)-1-(2,4-dimethoxyphenyl)methanimine (CID 590991) is N-(4-chlorophenyl)-1-(2,4-dimethoxyphenyl)methanimine.
What is the SMILES notation for N-(4-chlorophenyl)-1-(2,4-dimethoxyphenyl)methanimine?
The canonical SMILES for N-(4-chlorophenyl)-1-(2,4-dimethoxyphenyl)methanimine is COc1ccc(/C=N/c2ccc(Cl)cc2)c(OC)c1.
What is the InChIKey of N-(4-chlorophenyl)-1-(2,4-dimethoxyphenyl)methanimine?
The InChIKey is FUNXYTRWNRFJMN-LICLKQGHSA-N. The full InChI is InChI=1S/C15H14ClNO2/c1-18-14-8-3-11(15(9-14)19-2)10-17-13-6-4-12(16)5-7-13/h3-10H,1-2H3/b17-10+.
What are the key properties of N-(4-chlorophenyl)-1-(2,4-dimethoxyphenyl)methanimine?
N-(4-chlorophenyl)-1-(2,4-dimethoxyphenyl)methanimine has a molecular weight of 275.74 g/mol, XLogP of 4.11, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-1-(2,4-dimethoxyphenyl)methanimine is sourced from PubChem (CID 590991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).