N-(2,5-dichlorophenyl)-1-(4-methylphenyl)methanimine

C14H11Cl2N — CID 962148

IUPACN-(2,5-dichlorophenyl)-1-(4-methylphenyl)methanimine
SMILESCc1ccc(/C=N/c2cc(Cl)ccc2Cl)cc1
InChIInChI=1S/C14H11Cl2N/c1-10-2-4-11(5-3-10)9-17-14-8-12(15)6-7-13(14)16/h2-9H,1H3/b17-9+
InChIKeyKAHPEQDXZGHVQJ-RQZCQDPDSA-N
MW264.16 g/mol
LogP5.05
Rot. Bonds2

About N-(2,5-dichlorophenyl)-1-(4-methylphenyl)methanimine

N-(2,5-dichlorophenyl)-1-(4-methylphenyl)methanimine (PubChem CID 962148) has the molecular formula C14H11Cl2N and a molecular weight of 264.16 g/mol. Its IUPAC name is N-(2,5-dichlorophenyl)-1-(4-methylphenyl)methanimine.

Molecular Properties

Compound NameN-(2,5-dichlorophenyl)-1-(4-methylphenyl)methanimine
PubChem CID962148
Molecular FormulaC14H11Cl2N
Molecular Weight264.16 g/mol
Exact Mass263.03
IUPAC NameN-(2,5-dichlorophenyl)-1-(4-methylphenyl)methanimine
SMILESCc1ccc(/C=N/c2cc(Cl)ccc2Cl)cc1
InChIInChI=1S/C14H11Cl2N/c1-10-2-4-11(5-3-10)9-17-14-8-12(15)6-7-13(14)16/h2-9H,1H3/b17-9+
InChIKeyKAHPEQDXZGHVQJ-RQZCQDPDSA-N
XLogP5.05
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500264.16
LogP ≤ 55.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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-(2,5-dichlorophenyl)-1-(4-methylphenyl)methanimine?
The IUPAC name of N-(2,5-dichlorophenyl)-1-(4-methylphenyl)methanimine (CID 962148) is N-(2,5-dichlorophenyl)-1-(4-methylphenyl)methanimine.
What is the SMILES notation for N-(2,5-dichlorophenyl)-1-(4-methylphenyl)methanimine?
The canonical SMILES for N-(2,5-dichlorophenyl)-1-(4-methylphenyl)methanimine is Cc1ccc(/C=N/c2cc(Cl)ccc2Cl)cc1.
What is the InChIKey of N-(2,5-dichlorophenyl)-1-(4-methylphenyl)methanimine?
The InChIKey is KAHPEQDXZGHVQJ-RQZCQDPDSA-N. The full InChI is InChI=1S/C14H11Cl2N/c1-10-2-4-11(5-3-10)9-17-14-8-12(15)6-7-13(14)16/h2-9H,1H3/b17-9+.
What are the key properties of N-(2,5-dichlorophenyl)-1-(4-methylphenyl)methanimine?
N-(2,5-dichlorophenyl)-1-(4-methylphenyl)methanimine has a molecular weight of 264.16 g/mol, XLogP of 5.05, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dichlorophenyl)-1-(4-methylphenyl)methanimine is sourced from PubChem (CID 962148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).