3-methyl-N-[4-[(4-methylphenyl)iminomethyl]phenyl]-N-phenylaniline

C27H24N2 — CID 22967567

IUPAC3-methyl-N-[4-[(4-methylphenyl)iminomethyl]phenyl]-N-phenylaniline
SMILESCc1ccc(/N=C/c2ccc(N(c3ccccc3)c3cccc(C)c3)cc2)cc1
InChIInChI=1S/C27H24N2/c1-21-11-15-24(16-12-21)28-20-23-13-17-26(18-14-23)29(25-8-4-3-5-9-25)27-10-6-7-22(2)19-27/h3-20H,1-2H3/b28-20+
InChIKeyQGJWAKJOWMAZOO-VFCFBJKWSA-N
MW376.50 g/mol
LogP7.52
Rot. Bonds5

About 3-methyl-N-[4-[(4-methylphenyl)iminomethyl]phenyl]-N-phenylaniline

3-methyl-N-[4-[(4-methylphenyl)iminomethyl]phenyl]-N-phenylaniline (PubChem CID 22967567) has the molecular formula C27H24N2 and a molecular weight of 376.50 g/mol. Its IUPAC name is 3-methyl-N-[4-[(4-methylphenyl)iminomethyl]phenyl]-N-phenylaniline.

Molecular Properties

Compound Name3-methyl-N-[4-[(4-methylphenyl)iminomethyl]phenyl]-N-phenylaniline
PubChem CID22967567
Molecular FormulaC27H24N2
Molecular Weight376.50 g/mol
Exact Mass376.19
IUPAC Name3-methyl-N-[4-[(4-methylphenyl)iminomethyl]phenyl]-N-phenylaniline
SMILESCc1ccc(/N=C/c2ccc(N(c3ccccc3)c3cccc(C)c3)cc2)cc1
InChIInChI=1S/C27H24N2/c1-21-11-15-24(16-12-21)28-20-23-13-17-26(18-14-23)29(25-8-4-3-5-9-25)27-10-6-7-22(2)19-27/h3-20H,1-2H3/b28-20+
InChIKeyQGJWAKJOWMAZOO-VFCFBJKWSA-N
XLogP7.52
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.50
LogP ≤ 57.52
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

3-methyl-N-(4-methylphenyl)-N-[4-[4-[(E)-2-[4-[4-(N-phenylanilino)phenyl]phenyl]ethenyl]phenyl]phenyl]aniline
CID 89068068
3-methyl-N-[4-(4-methylphenyl)phenyl]-N-phenylaniline
CID 21349180
3-methyl-N-(3-methylphenyl)-N-[4-[4-[2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]phenyl]aniline
CID 90810762
3-methyl-N-(3-methylphenyl)-N-[4-[(E)-2-[4-[4-(N-phenylanilino)phenyl]phenyl]ethenyl]phenyl]aniline
CID 89068114
methane;3-methyl-N-[4-[4-(N-(4-methylphenyl)anilino)phenyl]phenyl]-N-phenylaniline
CID 158674972
3-methyl-N-[4-[4-(3-methyl-N-(3-methylphenyl)anilino)phenyl]phenyl]-N-[4-[4-(N-[4-[4-(3-methyl-N-(3-methylphenyl)anilino)phenyl]phenyl]anilino)phenyl]phenyl]aniline
CID 58711214
3-methyl-N-[4-[4-[N-(3-methylphenyl)-4-[4-[N-(3-methylphenyl)-4-[4-(N-(3-methylphenyl)anilino)phenyl]anilino]phenyl]anilino]phenyl]phenyl]-N-phenylaniline
CID 100923468
3-methyl-N-[4-[2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]-N-(4-phenylphenyl)aniline
CID 91343059
N-(4-ethenylphenyl)-3-methyl-N-(4-methylphenyl)aniline
CID 69459469
4-methyl-N,N-diphenylaniline;3-methyl-N-(3-methylphenyl)-N-(4-methylphenyl)aniline;N-methyl-N-phenylaniline;4-N-(4-methylphenyl)-1-N,1-N-diphenyl-4-N-[4-(N-phenylanilino)phenyl]benzene-1,4-diamine
CID 160844016
N-[4-[4-(4-ethenyl-N-(3-methylphenyl)anilino)phenyl]phenyl]-3-methyl-N-phenylaniline
CID 21044922
3-methyl-N-[4-[2-[4-(3-methyl-N-(3-methylphenyl)anilino)phenyl]ethenyl]phenyl]-N-(3-methylphenyl)aniline
CID 59938925

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[4-[(4-methylphenyl)iminomethyl]phenyl]-N-phenylaniline?
The IUPAC name of 3-methyl-N-[4-[(4-methylphenyl)iminomethyl]phenyl]-N-phenylaniline (CID 22967567) is 3-methyl-N-[4-[(4-methylphenyl)iminomethyl]phenyl]-N-phenylaniline.
What is the SMILES notation for 3-methyl-N-[4-[(4-methylphenyl)iminomethyl]phenyl]-N-phenylaniline?
The canonical SMILES for 3-methyl-N-[4-[(4-methylphenyl)iminomethyl]phenyl]-N-phenylaniline is Cc1ccc(/N=C/c2ccc(N(c3ccccc3)c3cccc(C)c3)cc2)cc1.
What is the InChIKey of 3-methyl-N-[4-[(4-methylphenyl)iminomethyl]phenyl]-N-phenylaniline?
The InChIKey is QGJWAKJOWMAZOO-VFCFBJKWSA-N. The full InChI is InChI=1S/C27H24N2/c1-21-11-15-24(16-12-21)28-20-23-13-17-26(18-14-23)29(25-8-4-3-5-9-25)27-10-6-7-22(2)19-27/h3-20H,1-2H3/b28-20+.
What are the key properties of 3-methyl-N-[4-[(4-methylphenyl)iminomethyl]phenyl]-N-phenylaniline?
3-methyl-N-[4-[(4-methylphenyl)iminomethyl]phenyl]-N-phenylaniline has a molecular weight of 376.50 g/mol, XLogP of 7.52, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[4-[(4-methylphenyl)iminomethyl]phenyl]-N-phenylaniline is sourced from PubChem (CID 22967567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).