2-methyl-N-[[4-(N-phenylanilino)phenyl]methylideneamino]aniline

C26H23N3 — CID 3290055

IUPAC2-methyl-N-[[4-(N-phenylanilino)phenyl]methylideneamino]aniline
SMILESCc1ccccc1NN=Cc1ccc(N(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C26H23N3/c1-21-10-8-9-15-26(21)28-27-20-22-16-18-25(19-17-22)29(23-11-4-2-5-12-23)24-13-6-3-7-14-24/h2-20,28H,1H3
InChIKeyNAHYTSQIFBGCMH-UHFFFAOYSA-N
MW377.49 g/mol
LogP6.91
Rot. Bonds6

About 2-methyl-N-[[4-(N-phenylanilino)phenyl]methylideneamino]aniline

2-methyl-N-[[4-(N-phenylanilino)phenyl]methylideneamino]aniline (PubChem CID 3290055) has the molecular formula C26H23N3 and a molecular weight of 377.49 g/mol. Its IUPAC name is 2-methyl-N-[[4-(N-phenylanilino)phenyl]methylideneamino]aniline.

Molecular Properties

Compound Name2-methyl-N-[[4-(N-phenylanilino)phenyl]methylideneamino]aniline
PubChem CID3290055
Molecular FormulaC26H23N3
Molecular Weight377.49 g/mol
Exact Mass377.19
IUPAC Name2-methyl-N-[[4-(N-phenylanilino)phenyl]methylideneamino]aniline
SMILESCc1ccccc1NN=Cc1ccc(N(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C26H23N3/c1-21-10-8-9-15-26(21)28-27-20-22-16-18-25(19-17-22)29(23-11-4-2-5-12-23)24-13-6-3-7-14-24/h2-20,28H,1H3
InChIKeyNAHYTSQIFBGCMH-UHFFFAOYSA-N
XLogP6.91
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.49
LogP ≤ 56.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-methyl-N-[[4-(N-phenylanilino)phenyl]methylideneamino]aniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[(Z)-[(2-methylphenyl)hydrazinylidene]methyl]benzoic acid
CID 9014672
6-methyl-3-[(2Z)-2-[[4-(N-phenylanilino)phenyl]methylidene]hydrazinyl]-4H-1,2,4-triazin-5-one
CID 135847861
4-methyl-N-[[4-(N-phenylanilino)phenyl]methylideneamino]-1,3-thiazol-2-amine
CID 168616897
ethyl N-[[4-(N-phenylanilino)phenyl]methylideneamino]carbamate
CID 4538267
N-[[3,4-bis(phenylmethoxy)phenyl]methylideneamino]-2-methylaniline
CID 4117636
N-[(Z)-(3-ethoxy-4-methoxyphenyl)methylideneamino]-2-methylaniline
CID 9014773
N-phenyl-4-[(E)-[(E)-[4-(N-phenylanilino)phenyl]methylidenehydrazinylidene]methyl]aniline
CID 154979781
N-[[4-(dimethylamino)phenyl]methylideneamino]naphthalen-1-amine
CID 50885946
4-[(E)-[[4-(benzenesulfonyl)phenyl]hydrazinylidene]methyl]-N,N-bis[4-[(E)-[[4-(benzenesulfonyl)phenyl]hydrazinylidene]methyl]phenyl]aniline
CID 177485255
N-[(Z)-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methylideneamino]-2-methylaniline
CID 9142531
2,4-dimethyl-N-[(E)-[4-(N-phenylanilino)phenyl]methylideneamino]benzamide
CID 6901568
2,5-dimethyl-N-[[4-(N-phenylanilino)phenyl]methylideneamino]benzenesulfonamide
CID 5171617

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[4-(N-phenylanilino)phenyl]methylideneamino]aniline?
The IUPAC name of 2-methyl-N-[[4-(N-phenylanilino)phenyl]methylideneamino]aniline (CID 3290055) is 2-methyl-N-[[4-(N-phenylanilino)phenyl]methylideneamino]aniline.
What is the SMILES notation for 2-methyl-N-[[4-(N-phenylanilino)phenyl]methylideneamino]aniline?
The canonical SMILES for 2-methyl-N-[[4-(N-phenylanilino)phenyl]methylideneamino]aniline is Cc1ccccc1NN=Cc1ccc(N(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of 2-methyl-N-[[4-(N-phenylanilino)phenyl]methylideneamino]aniline?
The InChIKey is NAHYTSQIFBGCMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N3/c1-21-10-8-9-15-26(21)28-27-20-22-16-18-25(19-17-22)29(23-11-4-2-5-12-23)24-13-6-3-7-14-24/h2-20,28H,1H3.
What are the key properties of 2-methyl-N-[[4-(N-phenylanilino)phenyl]methylideneamino]aniline?
2-methyl-N-[[4-(N-phenylanilino)phenyl]methylideneamino]aniline has a molecular weight of 377.49 g/mol, XLogP of 6.91, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[4-(N-phenylanilino)phenyl]methylideneamino]aniline is sourced from PubChem (CID 3290055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).