2-[(2,6-dimethylphenyl)iminomethyl]-N-(4-methylphenyl)aniline

C22H22N2 — CID 102395036

IUPAC2-[(2,6-dimethylphenyl)iminomethyl]-N-(4-methylphenyl)aniline
SMILESCc1ccc(Nc2ccccc2/C=N/c2c(C)cccc2C)cc1
InChIInChI=1S/C22H22N2/c1-16-11-13-20(14-12-16)24-21-10-5-4-9-19(21)15-23-22-17(2)7-6-8-18(22)3/h4-15,24H,1-3H3/b23-15+
InChIKeyPKYQLXXTGWMGHX-HZHRSRAPSA-N
MW314.43 g/mol
LogP6.11
Rot. Bonds4

About 2-[(2,6-dimethylphenyl)iminomethyl]-N-(4-methylphenyl)aniline

2-[(2,6-dimethylphenyl)iminomethyl]-N-(4-methylphenyl)aniline (PubChem CID 102395036) has the molecular formula C22H22N2 and a molecular weight of 314.43 g/mol. Its IUPAC name is 2-[(2,6-dimethylphenyl)iminomethyl]-N-(4-methylphenyl)aniline.

Molecular Properties

Compound Name2-[(2,6-dimethylphenyl)iminomethyl]-N-(4-methylphenyl)aniline
PubChem CID102395036
Molecular FormulaC22H22N2
Molecular Weight314.43 g/mol
Exact Mass314.18
IUPAC Name2-[(2,6-dimethylphenyl)iminomethyl]-N-(4-methylphenyl)aniline
SMILESCc1ccc(Nc2ccccc2/C=N/c2c(C)cccc2C)cc1
InChIInChI=1S/C22H22N2/c1-16-11-13-20(14-12-16)24-21-10-5-4-9-19(21)15-23-22-17(2)7-6-8-18(22)3/h4-15,24H,1-3H3/b23-15+
InChIKeyPKYQLXXTGWMGHX-HZHRSRAPSA-N
XLogP6.11
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.43
LogP ≤ 56.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-N,3-N-bis[2-[(2,6-dimethylphenyl)iminomethyl]phenyl]benzene-1,3-diamine
CID 102530043
N'-(2,6-dimethylphenyl)-N-[2-[(2,6-dimethylphenyl)iminomethyl]phenyl]methanimidamide
CID 102486072
2-[(2,6-dimethylphenyl)iminomethyl]-N-(4-methylphenyl)benzamide
CID 102455870
2-[(2-anilinophenyl)methylideneamino]-6-methylphenol
CID 21342904
N-phenyl-2-(phenyliminomethyl)aniline
CID 21342734
2-[(2,6-diethylphenyl)iminomethyl]-N-(4-methoxyphenyl)aniline
CID 139077384
N-(4-methylphenyl)-2-[(E)-2-[2-[(E)-2-phenylethenyl]phenyl]ethenyl]aniline
CID 67688103
2-[[2,6-di(propan-2-yl)phenyl]iminomethyl]-N-(4-phenoxyphenyl)aniline
CID 101467698
2-[(2-hydroxyphenyl)methylideneamino]-3-methylphenol
CID 584429
3-[(diphenylhydrazinylidene)methyl]-1-N,2-N-bis(4-methylphenyl)benzene-1,2-diamine
CID 70291320
N-[2-[[4-[2-[4-[[2-[2,6-di(propan-2-yl)anilino]phenyl]methylideneamino]-3,5-dimethylphenyl]phenyl]-2,6-dimethylphenyl]iminomethyl]phenyl]-2,6-di(propan-2-yl)aniline
CID 11286257
2-[(Z)-[(Z)-[2-(4-chloroanilino)phenyl]methylidenehydrazinylidene]methyl]-N-(4-chlorophenyl)aniline
CID 134868653

Frequently Asked Questions

What is the IUPAC name of 2-[(2,6-dimethylphenyl)iminomethyl]-N-(4-methylphenyl)aniline?
The IUPAC name of 2-[(2,6-dimethylphenyl)iminomethyl]-N-(4-methylphenyl)aniline (CID 102395036) is 2-[(2,6-dimethylphenyl)iminomethyl]-N-(4-methylphenyl)aniline.
What is the SMILES notation for 2-[(2,6-dimethylphenyl)iminomethyl]-N-(4-methylphenyl)aniline?
The canonical SMILES for 2-[(2,6-dimethylphenyl)iminomethyl]-N-(4-methylphenyl)aniline is Cc1ccc(Nc2ccccc2/C=N/c2c(C)cccc2C)cc1.
What is the InChIKey of 2-[(2,6-dimethylphenyl)iminomethyl]-N-(4-methylphenyl)aniline?
The InChIKey is PKYQLXXTGWMGHX-HZHRSRAPSA-N. The full InChI is InChI=1S/C22H22N2/c1-16-11-13-20(14-12-16)24-21-10-5-4-9-19(21)15-23-22-17(2)7-6-8-18(22)3/h4-15,24H,1-3H3/b23-15+.
What are the key properties of 2-[(2,6-dimethylphenyl)iminomethyl]-N-(4-methylphenyl)aniline?
2-[(2,6-dimethylphenyl)iminomethyl]-N-(4-methylphenyl)aniline has a molecular weight of 314.43 g/mol, XLogP of 6.11, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,6-dimethylphenyl)iminomethyl]-N-(4-methylphenyl)aniline is sourced from PubChem (CID 102395036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).