N-benzyl-N-[(Z)-(4-methylphenyl)methylideneamino]aniline

C21H20N2 — CID 6268194

IUPACN-benzyl-N-[(Z)-(4-methylphenyl)methylideneamino]aniline
SMILESCc1ccc(/C=N\N(Cc2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C21H20N2/c1-18-12-14-19(15-13-18)16-22-23(21-10-6-3-7-11-21)17-20-8-4-2-5-9-20/h2-16H,17H2,1H3/b22-16-
InChIKeyAFUIHSULLXFUBB-JWGURIENSA-N
MW300.41 g/mol
LogP5.04
Rot. Bonds5

About N-benzyl-N-[(Z)-(4-methylphenyl)methylideneamino]aniline

N-benzyl-N-[(Z)-(4-methylphenyl)methylideneamino]aniline (PubChem CID 6268194) has the molecular formula C21H20N2 and a molecular weight of 300.41 g/mol. Its IUPAC name is N-benzyl-N-[(Z)-(4-methylphenyl)methylideneamino]aniline.

Molecular Properties

Compound NameN-benzyl-N-[(Z)-(4-methylphenyl)methylideneamino]aniline
PubChem CID6268194
Molecular FormulaC21H20N2
Molecular Weight300.41 g/mol
Exact Mass300.16
IUPAC NameN-benzyl-N-[(Z)-(4-methylphenyl)methylideneamino]aniline
SMILESCc1ccc(/C=N\N(Cc2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C21H20N2/c1-18-12-14-19(15-13-18)16-22-23(21-10-6-3-7-11-21)17-20-8-4-2-5-9-20/h2-16H,17H2,1H3/b22-16-
InChIKeyAFUIHSULLXFUBB-JWGURIENSA-N
XLogP5.04
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500300.41
LogP ≤ 55.04
H-Bond Donors ≤ 50
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-benzyl-N-[(4-phenylphenyl)methylideneamino]aniline
CID 3486840
N-benzyl-N-[(E)-benzylideneamino]-3,5-dimethylaniline
CID 53376390
N-benzyl-N-[(4-butoxyphenyl)methylideneamino]aniline
CID 4188991
4-[[benzyl(phenyl)hydrazinylidene]methyl]-2-methoxyphenol
CID 4245483
N-benzyl-4-[(E)-[[4-[(N-[(E)-[4-[benzyl(ethyl)amino]phenyl]methylideneamino]anilino)methyl]phenyl]methyl-phenylhydrazinylidene]methyl]-N-methylaniline;3-methyl-N-[[4-[(3-methyl-N-[(E)-[4-(N-phenylanilino)phenyl]methylideneamino]anilino)methyl]phenyl]methyl]-N-[(E)-[4-(N-phenylanilino)phenyl]methylideneamino]aniline;4-methyl-N-[4-[(E)-[[2-[(N-[(E)-[4-(N-(4-methylphenyl)anilino)phenyl]methylideneamino]anilino)methyl]phenyl]methyl-phenylhydrazinylidene]methyl]phenyl]-N-phenylaniline;4-methyl-N-[4-[(E)-[[3-[(N-[(E)-[4-(N-(4-methylphenyl)anilino)phenyl]methylideneamino]anilino)methyl]phenyl]methyl-phenylhydrazinylidene]methyl]phenyl]-N-phenylaniline;4-methyl-N-[4-[(E)-[[4-[(N-[(E)-[4-(N-(4-methylphenyl)anilino)phenyl]methylideneamino]anilino)methyl]phenyl]methyl-phenylhydrazinylidene]methyl]phenyl]-N-phenylaniline
CID 172981110
N-benzyl-N-(3,3-diphenylprop-2-enylideneamino)-4-methylaniline
CID 54056068
4-methyl-N-(4-methylphenyl)-N-[4-[[oxiran-2-ylmethyl(phenyl)hydrazinylidene]methyl]phenyl]aniline
CID 85434701
methyl 4-[[4-[[benzyl(phenyl)hydrazinylidene]methyl]phenoxy]methyl]benzoate
CID 5053665
N-[4-[(diphenylhydrazinylidene)methyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline
CID 42614307
4-[[benzyl(phenyl)hydrazinylidene]methyl]benzene-1,2,3-triol
CID 4079078
N-[(E)-anthracen-9-ylmethylideneamino]-N-benzylaniline
CID 21205176
4-[[benzyl(phenyl)hydrazinylidene]methyl]-2-bromo-6-methoxyphenol
CID 3415919

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-[(Z)-(4-methylphenyl)methylideneamino]aniline?
The IUPAC name of N-benzyl-N-[(Z)-(4-methylphenyl)methylideneamino]aniline (CID 6268194) is N-benzyl-N-[(Z)-(4-methylphenyl)methylideneamino]aniline.
What is the SMILES notation for N-benzyl-N-[(Z)-(4-methylphenyl)methylideneamino]aniline?
The canonical SMILES for N-benzyl-N-[(Z)-(4-methylphenyl)methylideneamino]aniline is Cc1ccc(/C=N\N(Cc2ccccc2)c2ccccc2)cc1.
What is the InChIKey of N-benzyl-N-[(Z)-(4-methylphenyl)methylideneamino]aniline?
The InChIKey is AFUIHSULLXFUBB-JWGURIENSA-N. The full InChI is InChI=1S/C21H20N2/c1-18-12-14-19(15-13-18)16-22-23(21-10-6-3-7-11-21)17-20-8-4-2-5-9-20/h2-16H,17H2,1H3/b22-16-.
What are the key properties of N-benzyl-N-[(Z)-(4-methylphenyl)methylideneamino]aniline?
N-benzyl-N-[(Z)-(4-methylphenyl)methylideneamino]aniline has a molecular weight of 300.41 g/mol, XLogP of 5.04, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-[(Z)-(4-methylphenyl)methylideneamino]aniline is sourced from PubChem (CID 6268194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).