5-[3-amino-4-[(4-methylphenyl)methylideneamino]phenyl]-2-(ethylideneamino)aniline

C22H22N4 — CID 20783051

IUPAC5-[3-amino-4-[(4-methylphenyl)methylideneamino]phenyl]-2-(ethylideneamino)aniline
SMILESC/C=N/c1ccc(-c2ccc(/N=C/c3ccc(C)cc3)c(N)c2)cc1N
InChIInChI=1S/C22H22N4/c1-3-25-21-10-8-17(12-19(21)23)18-9-11-22(20(24)13-18)26-14-16-6-4-15(2)5-7-16/h3-14H,23-24H2,1-2H3/b25-3+,26-14+
InChIKeyLZMMNNNMJLEGAY-ZFCFXVHXSA-N
MW342.45 g/mol
LogP5.30
Rot. Bonds4

About 5-[3-amino-4-[(4-methylphenyl)methylideneamino]phenyl]-2-(ethylideneamino)aniline

5-[3-amino-4-[(4-methylphenyl)methylideneamino]phenyl]-2-(ethylideneamino)aniline (PubChem CID 20783051) has the molecular formula C22H22N4 and a molecular weight of 342.45 g/mol. Its IUPAC name is 5-[3-amino-4-[(4-methylphenyl)methylideneamino]phenyl]-2-(ethylideneamino)aniline.

Molecular Properties

Compound Name5-[3-amino-4-[(4-methylphenyl)methylideneamino]phenyl]-2-(ethylideneamino)aniline
PubChem CID20783051
Molecular FormulaC22H22N4
Molecular Weight342.45 g/mol
Exact Mass342.18
IUPAC Name5-[3-amino-4-[(4-methylphenyl)methylideneamino]phenyl]-2-(ethylideneamino)aniline
SMILESC/C=N/c1ccc(-c2ccc(/N=C/c3ccc(C)cc3)c(N)c2)cc1N
InChIInChI=1S/C22H22N4/c1-3-25-21-10-8-17(12-19(21)23)18-9-11-22(20(24)13-18)26-14-16-6-4-15(2)5-7-16/h3-14H,23-24H2,1-2H3/b25-3+,26-14+
InChIKeyLZMMNNNMJLEGAY-ZFCFXVHXSA-N
XLogP5.30
TPSA76.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.45
LogP ≤ 55.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(4-bromophenyl)-N-[4-[4-[(4-bromophenyl)methylideneamino]-3-methylphenyl]-2-methylphenyl]methanimine
CID 2189393
5-methyl-2-[(4-methylphenyl)methylideneamino]phenol
CID 30224082
4-[3-amino-4-(methylideneamino)phenyl]-2-(benzylideneamino)aniline
CID 130374140
N-(2,5-dimethylphenyl)-1-[4-[(2,5-dimethylphenyl)iminomethyl]phenyl]methanimine
CID 134109201
4-[[4-(4-methylphenyl)phenyl]methylideneamino]thiophen-3-amine;bis(2-methylprop-1-ene)
CID 145010814
N,1-bis(4-methylphenyl)methanimine
CID 525721
N-(4-methylphenyl)-1-[4-[(4-methylphenyl)iminomethyl]phenyl]methanimine
CID 1284722
4-[(2,4-dimethylphenyl)iminomethyl]phenol
CID 137138686
[4-(4-methylphenyl)phenyl]methylidenehydrazine
CID 154945808
N-(2,4-dimethylphenyl)-1-(4-nitrophenyl)methanimine
CID 792021
2-[(4-fluorophenyl)methylideneamino]-5-methylphenol
CID 11579513
N-(4-bromophenyl)-1-(4-methylphenyl)methanimine
CID 525717

Frequently Asked Questions

What is the IUPAC name of 5-[3-amino-4-[(4-methylphenyl)methylideneamino]phenyl]-2-(ethylideneamino)aniline?
The IUPAC name of 5-[3-amino-4-[(4-methylphenyl)methylideneamino]phenyl]-2-(ethylideneamino)aniline (CID 20783051) is 5-[3-amino-4-[(4-methylphenyl)methylideneamino]phenyl]-2-(ethylideneamino)aniline.
What is the SMILES notation for 5-[3-amino-4-[(4-methylphenyl)methylideneamino]phenyl]-2-(ethylideneamino)aniline?
The canonical SMILES for 5-[3-amino-4-[(4-methylphenyl)methylideneamino]phenyl]-2-(ethylideneamino)aniline is C/C=N/c1ccc(-c2ccc(/N=C/c3ccc(C)cc3)c(N)c2)cc1N.
What is the InChIKey of 5-[3-amino-4-[(4-methylphenyl)methylideneamino]phenyl]-2-(ethylideneamino)aniline?
The InChIKey is LZMMNNNMJLEGAY-ZFCFXVHXSA-N. The full InChI is InChI=1S/C22H22N4/c1-3-25-21-10-8-17(12-19(21)23)18-9-11-22(20(24)13-18)26-14-16-6-4-15(2)5-7-16/h3-14H,23-24H2,1-2H3/b25-3+,26-14+.
What are the key properties of 5-[3-amino-4-[(4-methylphenyl)methylideneamino]phenyl]-2-(ethylideneamino)aniline?
5-[3-amino-4-[(4-methylphenyl)methylideneamino]phenyl]-2-(ethylideneamino)aniline has a molecular weight of 342.45 g/mol, XLogP of 5.30, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-amino-4-[(4-methylphenyl)methylideneamino]phenyl]-2-(ethylideneamino)aniline is sourced from PubChem (CID 20783051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).