N-benzyl-N-[(Z)-(2,4-dimethoxyphenyl)methylideneamino]aniline

C22H22N2O2 — CID 6047667

IUPACN-benzyl-N-[(Z)-(2,4-dimethoxyphenyl)methylideneamino]aniline
SMILESCOc1ccc(/C=N\N(Cc2ccccc2)c2ccccc2)c(OC)c1
InChIInChI=1S/C22H22N2O2/c1-25-21-14-13-19(22(15-21)26-2)16-23-24(20-11-7-4-8-12-20)17-18-9-5-3-6-10-18/h3-16H,17H2,1-2H3/b23-16-
InChIKeyZQKFNYHHBMBPHU-KQWNVCNZSA-N
MW346.43 g/mol
LogP4.74
Rot. Bonds7

About N-benzyl-N-[(Z)-(2,4-dimethoxyphenyl)methylideneamino]aniline

N-benzyl-N-[(Z)-(2,4-dimethoxyphenyl)methylideneamino]aniline (PubChem CID 6047667) has the molecular formula C22H22N2O2 and a molecular weight of 346.43 g/mol. Its IUPAC name is N-benzyl-N-[(Z)-(2,4-dimethoxyphenyl)methylideneamino]aniline.

Molecular Properties

Compound NameN-benzyl-N-[(Z)-(2,4-dimethoxyphenyl)methylideneamino]aniline
PubChem CID6047667
Molecular FormulaC22H22N2O2
Molecular Weight346.43 g/mol
Exact Mass346.17
IUPAC NameN-benzyl-N-[(Z)-(2,4-dimethoxyphenyl)methylideneamino]aniline
SMILESCOc1ccc(/C=N\N(Cc2ccccc2)c2ccccc2)c(OC)c1
InChIInChI=1S/C22H22N2O2/c1-25-21-14-13-19(22(15-21)26-2)16-23-24(20-11-7-4-8-12-20)17-18-9-5-3-6-10-18/h3-16H,17H2,1-2H3/b23-16-
InChIKeyZQKFNYHHBMBPHU-KQWNVCNZSA-N
XLogP4.74
TPSA34.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 54.74
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'}

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Related Compounds

4-[[benzyl(phenyl)hydrazinylidene]methyl]-2-methoxyphenol
CID 4245483
4-[[benzyl(phenyl)hydrazinylidene]methyl]-2-bromo-6-methoxyphenol
CID 3415919
1-[(2,4-dimethoxyphenyl)methylideneamino]-1,3-diphenylthiourea
CID 3760032
1-(2,4-dimethoxyphenyl)-N-methylmethanimine
CID 518060
N-benzyl-N-[(4-butoxyphenyl)methylideneamino]aniline
CID 4188991
1-(2,4-dimethoxyphenyl)-N-(2-phenylsulfanylethyl)methanimine
CID 10756725
(E)-N-(4-benzylpiperazin-1-yl)-1-(2,4-dimethoxyphenyl)methanimine
CID 6887175
N-[(2,4-dimethoxyphenyl)methylideneamino]-N-methyl-4,6-diphenylpyrimidin-2-amine
CID 2837790
2-[benzyl-(2-methoxy-5-methylphenyl)sulfonylamino]-N-[(E)-(2,4-dimethoxyphenyl)methylideneamino]acetamide
CID 126372784
N-benzyl-N-[(E)-(3-methoxy-5-nitro-4-propan-2-yloxyphenyl)methylideneamino]aniline
CID 50887236
1-[(Z)-2-[2-[(E)-2-(2,4-dimethoxyphenyl)ethenyl]phenyl]ethenyl]-2,4-dimethoxybenzene
CID 171376648
N-benzyl-N-[[3-(4-chlorophenoxy)phenyl]methylideneamino]aniline
CID 4109737

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-[(Z)-(2,4-dimethoxyphenyl)methylideneamino]aniline?
The IUPAC name of N-benzyl-N-[(Z)-(2,4-dimethoxyphenyl)methylideneamino]aniline (CID 6047667) is N-benzyl-N-[(Z)-(2,4-dimethoxyphenyl)methylideneamino]aniline.
What is the SMILES notation for N-benzyl-N-[(Z)-(2,4-dimethoxyphenyl)methylideneamino]aniline?
The canonical SMILES for N-benzyl-N-[(Z)-(2,4-dimethoxyphenyl)methylideneamino]aniline is COc1ccc(/C=N\N(Cc2ccccc2)c2ccccc2)c(OC)c1.
What is the InChIKey of N-benzyl-N-[(Z)-(2,4-dimethoxyphenyl)methylideneamino]aniline?
The InChIKey is ZQKFNYHHBMBPHU-KQWNVCNZSA-N. The full InChI is InChI=1S/C22H22N2O2/c1-25-21-14-13-19(22(15-21)26-2)16-23-24(20-11-7-4-8-12-20)17-18-9-5-3-6-10-18/h3-16H,17H2,1-2H3/b23-16-.
What are the key properties of N-benzyl-N-[(Z)-(2,4-dimethoxyphenyl)methylideneamino]aniline?
N-benzyl-N-[(Z)-(2,4-dimethoxyphenyl)methylideneamino]aniline has a molecular weight of 346.43 g/mol, XLogP of 4.74, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-[(Z)-(2,4-dimethoxyphenyl)methylideneamino]aniline is sourced from PubChem (CID 6047667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).