N-(4-methylphenyl)-1-[4-[(4-methylphenyl)iminomethyl]phenyl]methanimine

C22H20N2 — CID 1284722

IUPACN-(4-methylphenyl)-1-[4-[(4-methylphenyl)iminomethyl]phenyl]methanimine
SMILESCc1ccc(/N=C/c2ccc(/C=N/c3ccc(C)cc3)cc2)cc1
InChIInChI=1S/C22H20N2/c1-17-3-11-21(12-4-17)23-15-19-7-9-20(10-8-19)16-24-22-13-5-18(2)6-14-22/h3-16H,1-2H3/b23-15+,24-16+
InChIKeyROQLXPPNAATARP-DFEHQXHXSA-N
MW312.42 g/mol
LogP5.80
Rot. Bonds4

About N-(4-methylphenyl)-1-[4-[(4-methylphenyl)iminomethyl]phenyl]methanimine

N-(4-methylphenyl)-1-[4-[(4-methylphenyl)iminomethyl]phenyl]methanimine (PubChem CID 1284722) has the molecular formula C22H20N2 and a molecular weight of 312.42 g/mol. Its IUPAC name is N-(4-methylphenyl)-1-[4-[(4-methylphenyl)iminomethyl]phenyl]methanimine.

Molecular Properties

Compound NameN-(4-methylphenyl)-1-[4-[(4-methylphenyl)iminomethyl]phenyl]methanimine
PubChem CID1284722
Molecular FormulaC22H20N2
Molecular Weight312.42 g/mol
Exact Mass312.16
IUPAC NameN-(4-methylphenyl)-1-[4-[(4-methylphenyl)iminomethyl]phenyl]methanimine
SMILESCc1ccc(/N=C/c2ccc(/C=N/c3ccc(C)cc3)cc2)cc1
InChIInChI=1S/C22H20N2/c1-17-3-11-21(12-4-17)23-15-19-7-9-20(10-8-19)16-24-22-13-5-18(2)6-14-22/h3-16H,1-2H3/b23-15+,24-16+
InChIKeyROQLXPPNAATARP-DFEHQXHXSA-N
XLogP5.80
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.42
LogP ≤ 55.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

CID 219140
CID 219140
CID 10858
CID 10858
CID 75276
CID 75276
CID 525721
CID 525721
CID 6863007
CID 6863007
CID 234157
CID 234157
CID 141503
CID 141503
CID 300779
CID 300779
CID 321189
CID 321189
CID 5375816
CID 5375816
CID 100502
CID 100502
CID 525732
CID 525732

Frequently Asked Questions

What is the IUPAC name of N-(4-methylphenyl)-1-[4-[(4-methylphenyl)iminomethyl]phenyl]methanimine?
The IUPAC name of N-(4-methylphenyl)-1-[4-[(4-methylphenyl)iminomethyl]phenyl]methanimine (CID 1284722) is N-(4-methylphenyl)-1-[4-[(4-methylphenyl)iminomethyl]phenyl]methanimine.
What is the SMILES notation for N-(4-methylphenyl)-1-[4-[(4-methylphenyl)iminomethyl]phenyl]methanimine?
The canonical SMILES for N-(4-methylphenyl)-1-[4-[(4-methylphenyl)iminomethyl]phenyl]methanimine is Cc1ccc(/N=C/c2ccc(/C=N/c3ccc(C)cc3)cc2)cc1.
What is the InChIKey of N-(4-methylphenyl)-1-[4-[(4-methylphenyl)iminomethyl]phenyl]methanimine?
The InChIKey is ROQLXPPNAATARP-DFEHQXHXSA-N. The full InChI is InChI=1S/C22H20N2/c1-17-3-11-21(12-4-17)23-15-19-7-9-20(10-8-19)16-24-22-13-5-18(2)6-14-22/h3-16H,1-2H3/b23-15+,24-16+.
What are the key properties of N-(4-methylphenyl)-1-[4-[(4-methylphenyl)iminomethyl]phenyl]methanimine?
N-(4-methylphenyl)-1-[4-[(4-methylphenyl)iminomethyl]phenyl]methanimine has a molecular weight of 312.42 g/mol, XLogP of 5.80, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylphenyl)-1-[4-[(4-methylphenyl)iminomethyl]phenyl]methanimine is sourced from PubChem (CID 1284722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).