N-(2-methylphenyl)-N'-(2,3,4,5,6-pentamethylphenyl)methanediimine

C19H22N2 — CID 172764261

IUPACN-(2-methylphenyl)-N'-(2,3,4,5,6-pentamethylphenyl)methanediimine
SMILESCc1ccccc1N=C=Nc1c(C)c(C)c(C)c(C)c1C
InChIInChI=1S/C19H22N2/c1-12-9-7-8-10-18(12)20-11-21-19-16(5)14(3)13(2)15(4)17(19)6/h7-10H,1-6H3
InChIKeyMCGDPKQJRBXLEQ-UHFFFAOYSA-N
MW278.40 g/mol
LogP5.67
Rot. Bonds2

About N-(2-methylphenyl)-N'-(2,3,4,5,6-pentamethylphenyl)methanediimine

N-(2-methylphenyl)-N'-(2,3,4,5,6-pentamethylphenyl)methanediimine (PubChem CID 172764261) has the molecular formula C19H22N2 and a molecular weight of 278.40 g/mol. Its IUPAC name is N-(2-methylphenyl)-N'-(2,3,4,5,6-pentamethylphenyl)methanediimine.

Molecular Properties

Compound NameN-(2-methylphenyl)-N'-(2,3,4,5,6-pentamethylphenyl)methanediimine
PubChem CID172764261
Molecular FormulaC19H22N2
Molecular Weight278.40 g/mol
Exact Mass278.18
IUPAC NameN-(2-methylphenyl)-N'-(2,3,4,5,6-pentamethylphenyl)methanediimine
SMILESCc1ccccc1N=C=Nc1c(C)c(C)c(C)c(C)c1C
InChIInChI=1S/C19H22N2/c1-12-9-7-8-10-18(12)20-11-21-19-16(5)14(3)13(2)15(4)17(19)6/h7-10H,1-6H3
InChIKeyMCGDPKQJRBXLEQ-UHFFFAOYSA-N
XLogP5.67
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500278.40
LogP ≤ 55.67
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 N-(2-methylphenyl)-N'-(2,3,4,5,6-pentamethylphenyl)methanediimine?
The IUPAC name of N-(2-methylphenyl)-N'-(2,3,4,5,6-pentamethylphenyl)methanediimine (CID 172764261) is N-(2-methylphenyl)-N'-(2,3,4,5,6-pentamethylphenyl)methanediimine.
What is the SMILES notation for N-(2-methylphenyl)-N'-(2,3,4,5,6-pentamethylphenyl)methanediimine?
The canonical SMILES for N-(2-methylphenyl)-N'-(2,3,4,5,6-pentamethylphenyl)methanediimine is Cc1ccccc1N=C=Nc1c(C)c(C)c(C)c(C)c1C.
What is the InChIKey of N-(2-methylphenyl)-N'-(2,3,4,5,6-pentamethylphenyl)methanediimine?
The InChIKey is MCGDPKQJRBXLEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2/c1-12-9-7-8-10-18(12)20-11-21-19-16(5)14(3)13(2)15(4)17(19)6/h7-10H,1-6H3.
What are the key properties of N-(2-methylphenyl)-N'-(2,3,4,5,6-pentamethylphenyl)methanediimine?
N-(2-methylphenyl)-N'-(2,3,4,5,6-pentamethylphenyl)methanediimine has a molecular weight of 278.40 g/mol, XLogP of 5.67, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylphenyl)-N'-(2,3,4,5,6-pentamethylphenyl)methanediimine is sourced from PubChem (CID 172764261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).