5-[(Z)-2-(3,5-dimethoxyphenyl)ethenyl]-2-methoxyaniline

C17H19NO3 — CID 10446642

IUPAC5-[(Z)-2-(3,5-dimethoxyphenyl)ethenyl]-2-methoxyaniline
SMILESCOc1cc(/C=C\c2ccc(OC)c(N)c2)cc(OC)c1
InChIInChI=1S/C17H19NO3/c1-19-14-8-13(9-15(11-14)20-2)5-4-12-6-7-17(21-3)16(18)10-12/h4-11H,18H2,1-3H3/b5-4-
InChIKeyOEQWGVQMUXYOJC-PLNGDYQASA-N
MW285.34 g/mol
LogP3.46
Rot. Bonds5

About 5-[(Z)-2-(3,5-dimethoxyphenyl)ethenyl]-2-methoxyaniline

5-[(Z)-2-(3,5-dimethoxyphenyl)ethenyl]-2-methoxyaniline (PubChem CID 10446642) has the molecular formula C17H19NO3 and a molecular weight of 285.34 g/mol. Its IUPAC name is 5-[(Z)-2-(3,5-dimethoxyphenyl)ethenyl]-2-methoxyaniline.

Molecular Properties

Compound Name5-[(Z)-2-(3,5-dimethoxyphenyl)ethenyl]-2-methoxyaniline
PubChem CID10446642
Molecular FormulaC17H19NO3
Molecular Weight285.34 g/mol
Exact Mass285.14
IUPAC Name5-[(Z)-2-(3,5-dimethoxyphenyl)ethenyl]-2-methoxyaniline
SMILESCOc1cc(/C=C\c2ccc(OC)c(N)c2)cc(OC)c1
InChIInChI=1S/C17H19NO3/c1-19-14-8-13(9-15(11-14)20-2)5-4-12-6-7-17(21-3)16(18)10-12/h4-11H,18H2,1-3H3/b5-4-
InChIKeyOEQWGVQMUXYOJC-PLNGDYQASA-N
XLogP3.46
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[(Z)-2-(3,5-dimethoxyphenyl)ethenyl]-2-methoxyaniline?
The IUPAC name of 5-[(Z)-2-(3,5-dimethoxyphenyl)ethenyl]-2-methoxyaniline (CID 10446642) is 5-[(Z)-2-(3,5-dimethoxyphenyl)ethenyl]-2-methoxyaniline.
What is the SMILES notation for 5-[(Z)-2-(3,5-dimethoxyphenyl)ethenyl]-2-methoxyaniline?
The canonical SMILES for 5-[(Z)-2-(3,5-dimethoxyphenyl)ethenyl]-2-methoxyaniline is COc1cc(/C=C\c2ccc(OC)c(N)c2)cc(OC)c1.
What is the InChIKey of 5-[(Z)-2-(3,5-dimethoxyphenyl)ethenyl]-2-methoxyaniline?
The InChIKey is OEQWGVQMUXYOJC-PLNGDYQASA-N. The full InChI is InChI=1S/C17H19NO3/c1-19-14-8-13(9-15(11-14)20-2)5-4-12-6-7-17(21-3)16(18)10-12/h4-11H,18H2,1-3H3/b5-4-.
What are the key properties of 5-[(Z)-2-(3,5-dimethoxyphenyl)ethenyl]-2-methoxyaniline?
5-[(Z)-2-(3,5-dimethoxyphenyl)ethenyl]-2-methoxyaniline has a molecular weight of 285.34 g/mol, XLogP of 3.46, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(Z)-2-(3,5-dimethoxyphenyl)ethenyl]-2-methoxyaniline is sourced from PubChem (CID 10446642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).