N-benzyl-N-[(E)-benzylideneamino]-3,5-dimethylaniline

C22H22N2 — CID 53376390

IUPACN-benzyl-N-[(E)-benzylideneamino]-3,5-dimethylaniline
SMILESCc1cc(C)cc(N(Cc2ccccc2)/N=C/c2ccccc2)c1
InChIInChI=1S/C22H22N2/c1-18-13-19(2)15-22(14-18)24(17-21-11-7-4-8-12-21)23-16-20-9-5-3-6-10-20/h3-16H,17H2,1-2H3/b23-16+
InChIKeySCSFKMUQCSCWTN-XQNSMLJCSA-N
MW314.43 g/mol
LogP5.34
Rot. Bonds5

About N-benzyl-N-[(E)-benzylideneamino]-3,5-dimethylaniline

N-benzyl-N-[(E)-benzylideneamino]-3,5-dimethylaniline (PubChem CID 53376390) has the molecular formula C22H22N2 and a molecular weight of 314.43 g/mol. Its IUPAC name is N-benzyl-N-[(E)-benzylideneamino]-3,5-dimethylaniline.

Molecular Properties

Compound NameN-benzyl-N-[(E)-benzylideneamino]-3,5-dimethylaniline
PubChem CID53376390
Molecular FormulaC22H22N2
Molecular Weight314.43 g/mol
Exact Mass314.18
IUPAC NameN-benzyl-N-[(E)-benzylideneamino]-3,5-dimethylaniline
SMILESCc1cc(C)cc(N(Cc2ccccc2)/N=C/c2ccccc2)c1
InChIInChI=1S/C22H22N2/c1-18-13-19(2)15-22(14-18)24(17-21-11-7-4-8-12-21)23-16-20-9-5-3-6-10-20/h3-16H,17H2,1-2H3/b23-16+
InChIKeySCSFKMUQCSCWTN-XQNSMLJCSA-N
XLogP5.34
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.43
LogP ≤ 55.34
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-[(Z)-(4-methylphenyl)methylideneamino]aniline
CID 6268194
N-benzyl-N-[(4-phenylphenyl)methylideneamino]aniline
CID 3486840
N-benzyl-N-[(4-butoxyphenyl)methylideneamino]aniline
CID 4188991
4-[[benzyl(phenyl)hydrazinylidene]methyl]-2-methoxyphenol
CID 4245483
N-benzyl-N-[[3-(4-chlorophenoxy)phenyl]methylideneamino]aniline
CID 4109737
N-[(E)-anthracen-9-ylmethylideneamino]-N-benzylaniline
CID 21205176
4-[[benzyl(phenyl)hydrazinylidene]methyl]-2-bromo-6-methoxyphenol
CID 3415919
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-[[4-[[benzyl(trimethylsilyl)hydrazinylidene]methyl]phenyl]methylideneamino]-1-phenyl-N-trimethylsilylmethanamine
CID 123927156
N-benzyl-N-(3,5-dimethylphenyl)benzenesulfonamide
CID 126386470
N-benzyl-N-[(Z)-(2,4-dimethoxyphenyl)methylideneamino]aniline
CID 6047667
N-benzyl-N-(3,3-diphenylprop-2-enylideneamino)-4-methylaniline
CID 54056068

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-[(E)-benzylideneamino]-3,5-dimethylaniline?
The IUPAC name of N-benzyl-N-[(E)-benzylideneamino]-3,5-dimethylaniline (CID 53376390) is N-benzyl-N-[(E)-benzylideneamino]-3,5-dimethylaniline.
What is the SMILES notation for N-benzyl-N-[(E)-benzylideneamino]-3,5-dimethylaniline?
The canonical SMILES for N-benzyl-N-[(E)-benzylideneamino]-3,5-dimethylaniline is Cc1cc(C)cc(N(Cc2ccccc2)/N=C/c2ccccc2)c1.
What is the InChIKey of N-benzyl-N-[(E)-benzylideneamino]-3,5-dimethylaniline?
The InChIKey is SCSFKMUQCSCWTN-XQNSMLJCSA-N. The full InChI is InChI=1S/C22H22N2/c1-18-13-19(2)15-22(14-18)24(17-21-11-7-4-8-12-21)23-16-20-9-5-3-6-10-20/h3-16H,17H2,1-2H3/b23-16+.
What are the key properties of N-benzyl-N-[(E)-benzylideneamino]-3,5-dimethylaniline?
N-benzyl-N-[(E)-benzylideneamino]-3,5-dimethylaniline has a molecular weight of 314.43 g/mol, XLogP of 5.34, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-[(E)-benzylideneamino]-3,5-dimethylaniline is sourced from PubChem (CID 53376390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).