5-[1-(3,5-dimethoxyphenyl)ethenyl]-2-methoxyaniline

C17H19NO3 — CID 11500187

IUPAC5-[1-(3,5-dimethoxyphenyl)ethenyl]-2-methoxyaniline
SMILESC=C(c1cc(OC)cc(OC)c1)c1ccc(OC)c(N)c1
InChIInChI=1S/C17H19NO3/c1-11(12-5-6-17(21-4)16(18)9-12)13-7-14(19-2)10-15(8-13)20-3/h5-10H,1,18H2,2-4H3
InChIKeyOZRGBJLKOYVIGD-UHFFFAOYSA-N
MW285.34 g/mol
LogP3.36
Rot. Bonds5

About 5-[1-(3,5-dimethoxyphenyl)ethenyl]-2-methoxyaniline

5-[1-(3,5-dimethoxyphenyl)ethenyl]-2-methoxyaniline (PubChem CID 11500187) has the molecular formula C17H19NO3 and a molecular weight of 285.34 g/mol. Its IUPAC name is 5-[1-(3,5-dimethoxyphenyl)ethenyl]-2-methoxyaniline.

Molecular Properties

Compound Name5-[1-(3,5-dimethoxyphenyl)ethenyl]-2-methoxyaniline
PubChem CID11500187
Molecular FormulaC17H19NO3
Molecular Weight285.34 g/mol
Exact Mass285.14
IUPAC Name5-[1-(3,5-dimethoxyphenyl)ethenyl]-2-methoxyaniline
SMILESC=C(c1cc(OC)cc(OC)c1)c1ccc(OC)c(N)c1
InChIInChI=1S/C17H19NO3/c1-11(12-5-6-17(21-4)16(18)9-12)13-7-14(19-2)10-15(8-13)20-3/h5-10H,1,18H2,2-4H3
InChIKeyOZRGBJLKOYVIGD-UHFFFAOYSA-N
XLogP3.36
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 ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[1-(3,5-dimethoxyphenyl)ethenyl]-2-methoxyaniline?
The IUPAC name of 5-[1-(3,5-dimethoxyphenyl)ethenyl]-2-methoxyaniline (CID 11500187) is 5-[1-(3,5-dimethoxyphenyl)ethenyl]-2-methoxyaniline.
What is the SMILES notation for 5-[1-(3,5-dimethoxyphenyl)ethenyl]-2-methoxyaniline?
The canonical SMILES for 5-[1-(3,5-dimethoxyphenyl)ethenyl]-2-methoxyaniline is C=C(c1cc(OC)cc(OC)c1)c1ccc(OC)c(N)c1.
What is the InChIKey of 5-[1-(3,5-dimethoxyphenyl)ethenyl]-2-methoxyaniline?
The InChIKey is OZRGBJLKOYVIGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO3/c1-11(12-5-6-17(21-4)16(18)9-12)13-7-14(19-2)10-15(8-13)20-3/h5-10H,1,18H2,2-4H3.
What are the key properties of 5-[1-(3,5-dimethoxyphenyl)ethenyl]-2-methoxyaniline?
5-[1-(3,5-dimethoxyphenyl)ethenyl]-2-methoxyaniline has a molecular weight of 285.34 g/mol, XLogP of 3.36, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(3,5-dimethoxyphenyl)ethenyl]-2-methoxyaniline is sourced from PubChem (CID 11500187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).