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

C14H11Cl2N — CID 3618477

IUPAC1-(2,4-dichlorophenyl)-N-(2-methylphenyl)methanimine
SMILESCc1ccccc1/N=C/c1ccc(Cl)cc1Cl
InChIInChI=1S/C14H11Cl2N/c1-10-4-2-3-5-14(10)17-9-11-6-7-12(15)8-13(11)16/h2-9H,1H3/b17-9+
InChIKeyBDQJOTGBXVJXKC-RQZCQDPDSA-N
MW264.16 g/mol
LogP5.05
Rot. Bonds2

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

1-(2,4-dichlorophenyl)-N-(2-methylphenyl)methanimine (PubChem CID 3618477) has the molecular formula C14H11Cl2N and a molecular weight of 264.16 g/mol. Its IUPAC name is 1-(2,4-dichlorophenyl)-N-(2-methylphenyl)methanimine.

Molecular Properties

Compound Name1-(2,4-dichlorophenyl)-N-(2-methylphenyl)methanimine
PubChem CID3618477
Molecular FormulaC14H11Cl2N
Molecular Weight264.16 g/mol
Exact Mass263.03
IUPAC Name1-(2,4-dichlorophenyl)-N-(2-methylphenyl)methanimine
SMILESCc1ccccc1/N=C/c1ccc(Cl)cc1Cl
InChIInChI=1S/C14H11Cl2N/c1-10-4-2-3-5-14(10)17-9-11-6-7-12(15)8-13(11)16/h2-9H,1H3/b17-9+
InChIKeyBDQJOTGBXVJXKC-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 1-(2,4-dichlorophenyl)-N-(2-methylphenyl)methanimine?
The IUPAC name of 1-(2,4-dichlorophenyl)-N-(2-methylphenyl)methanimine (CID 3618477) is 1-(2,4-dichlorophenyl)-N-(2-methylphenyl)methanimine.
What is the SMILES notation for 1-(2,4-dichlorophenyl)-N-(2-methylphenyl)methanimine?
The canonical SMILES for 1-(2,4-dichlorophenyl)-N-(2-methylphenyl)methanimine is Cc1ccccc1/N=C/c1ccc(Cl)cc1Cl.
What is the InChIKey of 1-(2,4-dichlorophenyl)-N-(2-methylphenyl)methanimine?
The InChIKey is BDQJOTGBXVJXKC-RQZCQDPDSA-N. The full InChI is InChI=1S/C14H11Cl2N/c1-10-4-2-3-5-14(10)17-9-11-6-7-12(15)8-13(11)16/h2-9H,1H3/b17-9+.
What are the key properties of 1-(2,4-dichlorophenyl)-N-(2-methylphenyl)methanimine?
1-(2,4-dichlorophenyl)-N-(2-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 1-(2,4-dichlorophenyl)-N-(2-methylphenyl)methanimine is sourced from PubChem (CID 3618477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).