4-[(E)-[(E)-(3,5-dimethoxyphenyl)methylidenehydrazinylidene]methyl]-N-methylaniline

C17H19N3O2 — CID 154979794

IUPAC4-[(E)-[(E)-(3,5-dimethoxyphenyl)methylidenehydrazinylidene]methyl]-N-methylaniline
SMILESCNc1ccc(/C=N/N=C/c2cc(OC)cc(OC)c2)cc1
InChIInChI=1S/C17H19N3O2/c1-18-15-6-4-13(5-7-15)11-19-20-12-14-8-16(21-2)10-17(9-14)22-3/h4-12,18H,1-3H3/b19-11+,20-12+
InChIKeyBDVCZCBRHVCBBY-AYKLPDECSA-N
MW297.36 g/mol
LogP3.20
Rot. Bonds6

About 4-[(E)-[(E)-(3,5-dimethoxyphenyl)methylidenehydrazinylidene]methyl]-N-methylaniline

4-[(E)-[(E)-(3,5-dimethoxyphenyl)methylidenehydrazinylidene]methyl]-N-methylaniline (PubChem CID 154979794) has the molecular formula C17H19N3O2 and a molecular weight of 297.36 g/mol. Its IUPAC name is 4-[(E)-[(E)-(3,5-dimethoxyphenyl)methylidenehydrazinylidene]methyl]-N-methylaniline.

Molecular Properties

Compound Name4-[(E)-[(E)-(3,5-dimethoxyphenyl)methylidenehydrazinylidene]methyl]-N-methylaniline
PubChem CID154979794
Molecular FormulaC17H19N3O2
Molecular Weight297.36 g/mol
Exact Mass297.15
IUPAC Name4-[(E)-[(E)-(3,5-dimethoxyphenyl)methylidenehydrazinylidene]methyl]-N-methylaniline
SMILESCNc1ccc(/C=N/N=C/c2cc(OC)cc(OC)c2)cc1
InChIInChI=1S/C17H19N3O2/c1-18-15-6-4-13(5-7-15)11-19-20-12-14-8-16(21-2)10-17(9-14)22-3/h4-12,18H,1-3H3/b19-11+,20-12+
InChIKeyBDVCZCBRHVCBBY-AYKLPDECSA-N
XLogP3.20
TPSA55.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-[(E)-[(E)-(4-iodophenyl)methylidenehydrazinylidene]methyl]-N-methylaniline
CID 154979853
4-[(E)-[(E)-(4-ethylphenyl)methylidenehydrazinylidene]methyl]-N-methylaniline
CID 172917579
4-[(E)-[(E)-[4-(2-fluoroethoxy)phenyl]methylidenehydrazinylidene]methyl]-N-methylaniline
CID 154979858
N-[(3-methoxyphenyl)methylideneamino]-4-(methylamino)benzamide
CID 75306201
(3,5-dimethoxyphenyl)methylidenehydrazine
CID 131871774
N-[(2,6-difluoro-4-methoxyphenyl)methylideneamino]-1-(4-fluorophenyl)methanimine
CID 54205249
N-(3,5-dimethoxyphenyl)-4-(methylamino)benzamide
CID 62170663
N-[(E)-(3-methoxyphenyl)methylideneamino]methanamine
CID 110339403
N-[(Z)-(3,5-dimethoxyphenyl)methylideneamino]furan-2-carboxamide
CID 7231244
N-[(3,5-dimethoxyphenyl)methylideneamino]-4-fluorobenzamide
CID 2641916
(E)-N-[(E)-(2,6-difluoro-4-methoxyphenyl)methylideneamino]-1-(3,4,5-trifluorophenyl)methanimine
CID 19368504
N-(3,5-dimethoxyphenyl)-4-[(E)-methoxyiminomethyl]benzamide
CID 134059612

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-[(E)-(3,5-dimethoxyphenyl)methylidenehydrazinylidene]methyl]-N-methylaniline?
The IUPAC name of 4-[(E)-[(E)-(3,5-dimethoxyphenyl)methylidenehydrazinylidene]methyl]-N-methylaniline (CID 154979794) is 4-[(E)-[(E)-(3,5-dimethoxyphenyl)methylidenehydrazinylidene]methyl]-N-methylaniline.
What is the SMILES notation for 4-[(E)-[(E)-(3,5-dimethoxyphenyl)methylidenehydrazinylidene]methyl]-N-methylaniline?
The canonical SMILES for 4-[(E)-[(E)-(3,5-dimethoxyphenyl)methylidenehydrazinylidene]methyl]-N-methylaniline is CNc1ccc(/C=N/N=C/c2cc(OC)cc(OC)c2)cc1.
What is the InChIKey of 4-[(E)-[(E)-(3,5-dimethoxyphenyl)methylidenehydrazinylidene]methyl]-N-methylaniline?
The InChIKey is BDVCZCBRHVCBBY-AYKLPDECSA-N. The full InChI is InChI=1S/C17H19N3O2/c1-18-15-6-4-13(5-7-15)11-19-20-12-14-8-16(21-2)10-17(9-14)22-3/h4-12,18H,1-3H3/b19-11+,20-12+.
What are the key properties of 4-[(E)-[(E)-(3,5-dimethoxyphenyl)methylidenehydrazinylidene]methyl]-N-methylaniline?
4-[(E)-[(E)-(3,5-dimethoxyphenyl)methylidenehydrazinylidene]methyl]-N-methylaniline has a molecular weight of 297.36 g/mol, XLogP of 3.20, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-[(E)-(3,5-dimethoxyphenyl)methylidenehydrazinylidene]methyl]-N-methylaniline is sourced from PubChem (CID 154979794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).