N-[bis(4-methylphenyl)methylideneamino]-4-methylaniline

C22H22N2 — CID 59951194

IUPACN-[bis(4-methylphenyl)methylideneamino]-4-methylaniline
SMILESCc1ccc(NN=C(c2ccc(C)cc2)c2ccc(C)cc2)cc1
InChIInChI=1S/C22H22N2/c1-16-4-10-19(11-5-16)22(20-12-6-17(2)7-13-20)24-23-21-14-8-18(3)9-15-21/h4-15,23H,1-3H3
InChIKeyFYGNFTXUVRRXEV-UHFFFAOYSA-N
MW314.43 g/mol
LogP5.48
Rot. Bonds4

About N-[bis(4-methylphenyl)methylideneamino]-4-methylaniline

N-[bis(4-methylphenyl)methylideneamino]-4-methylaniline (PubChem CID 59951194) has the molecular formula C22H22N2 and a molecular weight of 314.43 g/mol. Its IUPAC name is N-[bis(4-methylphenyl)methylideneamino]-4-methylaniline.

Molecular Properties

Compound NameN-[bis(4-methylphenyl)methylideneamino]-4-methylaniline
PubChem CID59951194
Molecular FormulaC22H22N2
Molecular Weight314.43 g/mol
Exact Mass314.18
IUPAC NameN-[bis(4-methylphenyl)methylideneamino]-4-methylaniline
SMILESCc1ccc(NN=C(c2ccc(C)cc2)c2ccc(C)cc2)cc1
InChIInChI=1S/C22H22N2/c1-16-4-10-19(11-5-16)22(20-12-6-17(2)7-13-20)24-23-21-14-8-18(3)9-15-21/h4-15,23H,1-3H3
InChIKeyFYGNFTXUVRRXEV-UHFFFAOYSA-N
XLogP5.48
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 ≤ 55.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[[(4-methylphenyl)-phenylmethylidene]amino]aniline
CID 78146288
(E)-N-(4-methylphenyl)benzenecarbohydrazonoyl chloride
CID 11207300
4-methyl-N-[(E)-[phenyl-(5-phenyl-1,2-oxazol-3-yl)methylidene]amino]aniline
CID 177388394
2-[(Z)-N-anilino-C-phenylcarbonimidoyl]-4-methylphenol
CID 136704880
N-[(E)-1,2-diphenylethylideneamino]-4-methylaniline
CID 135051683
N-[bis(4-methoxyphenyl)methylideneamino]-4-nitroaniline
CID 2836812
N-[(E)-[(4-methylphenyl)-nitromethylidene]amino]aniline
CID 6277211
N-(4-methylanilino)-2-oxopropanimidoyl cyanide
CID 563292
4-[(Z)-N-anilino-C-(4-fluorophenyl)carbonimidoyl]phenol
CID 135903575
3-methyl-N-[(Z)-1-(4-methylphenyl)ethylideneamino]aniline
CID 9060581
methyl 3-[(4-methylphenyl)hydrazinylidene]-2-oxobutanoate
CID 88827249
(3Z,4Z)-3-hydroxyimino-4-[(4-methylphenyl)hydrazinylidene]pentan-2-one
CID 137278520

Frequently Asked Questions

What is the IUPAC name of N-[bis(4-methylphenyl)methylideneamino]-4-methylaniline?
The IUPAC name of N-[bis(4-methylphenyl)methylideneamino]-4-methylaniline (CID 59951194) is N-[bis(4-methylphenyl)methylideneamino]-4-methylaniline.
What is the SMILES notation for N-[bis(4-methylphenyl)methylideneamino]-4-methylaniline?
The canonical SMILES for N-[bis(4-methylphenyl)methylideneamino]-4-methylaniline is Cc1ccc(NN=C(c2ccc(C)cc2)c2ccc(C)cc2)cc1.
What is the InChIKey of N-[bis(4-methylphenyl)methylideneamino]-4-methylaniline?
The InChIKey is FYGNFTXUVRRXEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2/c1-16-4-10-19(11-5-16)22(20-12-6-17(2)7-13-20)24-23-21-14-8-18(3)9-15-21/h4-15,23H,1-3H3.
What are the key properties of N-[bis(4-methylphenyl)methylideneamino]-4-methylaniline?
N-[bis(4-methylphenyl)methylideneamino]-4-methylaniline has a molecular weight of 314.43 g/mol, XLogP of 5.48, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[bis(4-methylphenyl)methylideneamino]-4-methylaniline is sourced from PubChem (CID 59951194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).