N-(3-methylphenyl)-1-[4-[(3-methylphenyl)iminomethyl]phenyl]methanimine

C22H20N2 — CID 3495242

IUPACN-(3-methylphenyl)-1-[4-[(3-methylphenyl)iminomethyl]phenyl]methanimine
SMILESCc1cccc(/N=C/c2ccc(/C=N/c3cccc(C)c3)cc2)c1
InChIInChI=1S/C22H20N2/c1-17-5-3-7-21(13-17)23-15-19-9-11-20(12-10-19)16-24-22-8-4-6-18(2)14-22/h3-16H,1-2H3/b23-15+,24-16+
InChIKeyNXPCFNXVTJNYCN-DFEHQXHXSA-N
MW312.42 g/mol
LogP5.80
Rot. Bonds4

About N-(3-methylphenyl)-1-[4-[(3-methylphenyl)iminomethyl]phenyl]methanimine

N-(3-methylphenyl)-1-[4-[(3-methylphenyl)iminomethyl]phenyl]methanimine (PubChem CID 3495242) has the molecular formula C22H20N2 and a molecular weight of 312.42 g/mol. Its IUPAC name is N-(3-methylphenyl)-1-[4-[(3-methylphenyl)iminomethyl]phenyl]methanimine.

Molecular Properties

Compound NameN-(3-methylphenyl)-1-[4-[(3-methylphenyl)iminomethyl]phenyl]methanimine
PubChem CID3495242
Molecular FormulaC22H20N2
Molecular Weight312.42 g/mol
Exact Mass312.16
IUPAC NameN-(3-methylphenyl)-1-[4-[(3-methylphenyl)iminomethyl]phenyl]methanimine
SMILESCc1cccc(/N=C/c2ccc(/C=N/c3cccc(C)c3)cc2)c1
InChIInChI=1S/C22H20N2/c1-17-5-3-7-21(13-17)23-15-19-9-11-20(12-10-19)16-24-22-8-4-6-18(2)14-22/h3-16H,1-2H3/b23-15+,24-16+
InChIKeyNXPCFNXVTJNYCN-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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Frequently Asked Questions

What is the IUPAC name of N-(3-methylphenyl)-1-[4-[(3-methylphenyl)iminomethyl]phenyl]methanimine?
The IUPAC name of N-(3-methylphenyl)-1-[4-[(3-methylphenyl)iminomethyl]phenyl]methanimine (CID 3495242) is N-(3-methylphenyl)-1-[4-[(3-methylphenyl)iminomethyl]phenyl]methanimine.
What is the SMILES notation for N-(3-methylphenyl)-1-[4-[(3-methylphenyl)iminomethyl]phenyl]methanimine?
The canonical SMILES for N-(3-methylphenyl)-1-[4-[(3-methylphenyl)iminomethyl]phenyl]methanimine is Cc1cccc(/N=C/c2ccc(/C=N/c3cccc(C)c3)cc2)c1.
What is the InChIKey of N-(3-methylphenyl)-1-[4-[(3-methylphenyl)iminomethyl]phenyl]methanimine?
The InChIKey is NXPCFNXVTJNYCN-DFEHQXHXSA-N. The full InChI is InChI=1S/C22H20N2/c1-17-5-3-7-21(13-17)23-15-19-9-11-20(12-10-19)16-24-22-8-4-6-18(2)14-22/h3-16H,1-2H3/b23-15+,24-16+.
What are the key properties of N-(3-methylphenyl)-1-[4-[(3-methylphenyl)iminomethyl]phenyl]methanimine?
N-(3-methylphenyl)-1-[4-[(3-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-(3-methylphenyl)-1-[4-[(3-methylphenyl)iminomethyl]phenyl]methanimine is sourced from PubChem (CID 3495242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).