4-methyl-N-(4-methylphenyl)-N-[4-[[oxiran-2-ylmethyl(phenyl)hydrazinylidene]methyl]phenyl]aniline

C30H29N3O — CID 85434701

IUPAC4-methyl-N-(4-methylphenyl)-N-[4-[[oxiran-2-ylmethyl(phenyl)hydrazinylidene]methyl]phenyl]aniline
SMILESCc1ccc(N(c2ccc(C)cc2)c2ccc(C=NN(CC3CO3)c3ccccc3)cc2)cc1
InChIInChI=1S/C30H29N3O/c1-23-8-14-27(15-9-23)33(28-16-10-24(2)11-17-28)29-18-12-25(13-19-29)20-31-32(21-30-22-34-30)26-6-4-3-5-7-26/h3-20,30H,21-22H2,1-2H3
InChIKeyGVBSDBMJWHBPMI-UHFFFAOYSA-N
MW447.58 g/mol
LogP7.01
Rot. Bonds8

About 4-methyl-N-(4-methylphenyl)-N-[4-[[oxiran-2-ylmethyl(phenyl)hydrazinylidene]methyl]phenyl]aniline

4-methyl-N-(4-methylphenyl)-N-[4-[[oxiran-2-ylmethyl(phenyl)hydrazinylidene]methyl]phenyl]aniline (PubChem CID 85434701) has the molecular formula C30H29N3O and a molecular weight of 447.58 g/mol. Its IUPAC name is 4-methyl-N-(4-methylphenyl)-N-[4-[[oxiran-2-ylmethyl(phenyl)hydrazinylidene]methyl]phenyl]aniline.

Molecular Properties

Compound Name4-methyl-N-(4-methylphenyl)-N-[4-[[oxiran-2-ylmethyl(phenyl)hydrazinylidene]methyl]phenyl]aniline
PubChem CID85434701
Molecular FormulaC30H29N3O
Molecular Weight447.58 g/mol
Exact Mass447.23
IUPAC Name4-methyl-N-(4-methylphenyl)-N-[4-[[oxiran-2-ylmethyl(phenyl)hydrazinylidene]methyl]phenyl]aniline
SMILESCc1ccc(N(c2ccc(C)cc2)c2ccc(C=NN(CC3CO3)c3ccccc3)cc2)cc1
InChIInChI=1S/C30H29N3O/c1-23-8-14-27(15-9-23)33(28-16-10-24(2)11-17-28)29-18-12-25(13-19-29)20-31-32(21-30-22-34-30)26-6-4-3-5-7-26/h3-20,30H,21-22H2,1-2H3
InChIKeyGVBSDBMJWHBPMI-UHFFFAOYSA-N
XLogP7.01
TPSA31.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500447.58
LogP ≤ 57.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

N-[(E)-(9-ethylcarbazol-3-yl)methylideneamino]-4-methyl-N-(oxiran-2-ylmethyl)aniline;N-[(E)-(9-ethylcarbazol-3-yl)methylideneamino]-N-(oxiran-2-ylmethyl)aniline;N-[(E)-(9-ethylcarbazol-3-yl)methylideneamino]-N-(oxiran-2-ylmethyl)naphthalen-2-amine;N-[(E)-[9-ethyl-6-[(E)-[naphthalen-2-yl(oxiran-2-ylmethyl)hydrazinylidene]methyl]carbazol-3-yl]methylideneamino]-N-(oxiran-2-ylmethyl)naphthalen-2-amine;N-[(E)-[9-ethyl-6-[(E)-[oxiran-2-ylmethyl(phenyl)hydrazinylidene]methyl]carbazol-3-yl]methylideneamino]-N-(oxiran-2-ylmethyl)aniline;4-methyl-N-(4-methylphenyl)-N-[4-[(E)-[oxiran-2-ylmethyl(phenyl)hydrazinylidene]methyl]phenyl]aniline;4-methyl-N-(oxiran-2-ylmethyl)-N-[(E)-[4-(N-phenylanilino)phenyl]methylideneamino]aniline;N-(oxiran-2-ylmethyl)-N-[(E)-[4-(N-phenylanilino)phenyl]methylideneamino]naphthalen-2-amine;4-[(E)-[oxiran-2-ylmethyl(phenyl)hydrazinylidene]methyl]-N,N-diphenylaniline
CID 172955320
N-[4-[(diphenylhydrazinylidene)methyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline
CID 42614307
N-benzyl-N-[(Z)-(4-methylphenyl)methylideneamino]aniline
CID 6268194
4-(N-[(E)-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]methylideneamino]anilino)benzaldehyde
CID 90065635
4-(N-[(E)-[4-(N-(4-methylphenyl)anilino)phenyl]methylideneamino]anilino)benzaldehyde
CID 90065532
N-[(E)-(5-methylidenecyclopenta-1,3-dien-1-yl)methylideneamino]-N-(oxiran-2-ylmethyl)aniline
CID 89268271
N-(benzylideneamino)-N-(cyclopenta-2,4-dien-1-ylmethyl)aniline
CID 174473329
4-methyl-N-[4-[(E)-2-[4-[(E)-2-[4-(N-(4-methylphenyl)anilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]-N-phenylaniline
CID 14366502
N-[(E)-[4-(N-[4-(2,2-diphenylethenyl)phenyl]anilino)phenyl]methylideneamino]-4-methyl-N-(4-methylphenyl)aniline
CID 172928570
ethane;tris(4-methyl-N,N-diphenylaniline)
CID 159159918
4-[[ethyl-(4-methylphenyl)hydrazinylidene]methyl]benzonitrile
CID 71903233
4-methyl-N-[4-[(E)-2-[4-[(E)-2-[4-(4-methyl-N-[4-[(1Z,3Z)-4-phenylbuta-1,3-dienyl]phenyl]anilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]-N-[4-[(1Z,3Z)-4-phenylbuta-1,3-dienyl]phenyl]aniline
CID 118284207

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(4-methylphenyl)-N-[4-[[oxiran-2-ylmethyl(phenyl)hydrazinylidene]methyl]phenyl]aniline?
The IUPAC name of 4-methyl-N-(4-methylphenyl)-N-[4-[[oxiran-2-ylmethyl(phenyl)hydrazinylidene]methyl]phenyl]aniline (CID 85434701) is 4-methyl-N-(4-methylphenyl)-N-[4-[[oxiran-2-ylmethyl(phenyl)hydrazinylidene]methyl]phenyl]aniline.
What is the SMILES notation for 4-methyl-N-(4-methylphenyl)-N-[4-[[oxiran-2-ylmethyl(phenyl)hydrazinylidene]methyl]phenyl]aniline?
The canonical SMILES for 4-methyl-N-(4-methylphenyl)-N-[4-[[oxiran-2-ylmethyl(phenyl)hydrazinylidene]methyl]phenyl]aniline is Cc1ccc(N(c2ccc(C)cc2)c2ccc(C=NN(CC3CO3)c3ccccc3)cc2)cc1.
What is the InChIKey of 4-methyl-N-(4-methylphenyl)-N-[4-[[oxiran-2-ylmethyl(phenyl)hydrazinylidene]methyl]phenyl]aniline?
The InChIKey is GVBSDBMJWHBPMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H29N3O/c1-23-8-14-27(15-9-23)33(28-16-10-24(2)11-17-28)29-18-12-25(13-19-29)20-31-32(21-30-22-34-30)26-6-4-3-5-7-26/h3-20,30H,21-22H2,1-2H3.
What are the key properties of 4-methyl-N-(4-methylphenyl)-N-[4-[[oxiran-2-ylmethyl(phenyl)hydrazinylidene]methyl]phenyl]aniline?
4-methyl-N-(4-methylphenyl)-N-[4-[[oxiran-2-ylmethyl(phenyl)hydrazinylidene]methyl]phenyl]aniline has a molecular weight of 447.58 g/mol, XLogP of 7.01, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(4-methylphenyl)-N-[4-[[oxiran-2-ylmethyl(phenyl)hydrazinylidene]methyl]phenyl]aniline is sourced from PubChem (CID 85434701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).