5-[1-(3-ethoxy-4-methoxyphenyl)ethenyl]-2-methoxyaniline

C18H21NO3 — CID 11594581

IUPAC5-[1-(3-ethoxy-4-methoxyphenyl)ethenyl]-2-methoxyaniline
SMILESC=C(c1ccc(OC)c(N)c1)c1ccc(OC)c(OCC)c1
InChIInChI=1S/C18H21NO3/c1-5-22-18-11-14(7-9-17(18)21-4)12(2)13-6-8-16(20-3)15(19)10-13/h6-11H,2,5,19H2,1,3-4H3
InChIKeyORAJNHMNYRYHHV-UHFFFAOYSA-N
MW299.37 g/mol
LogP3.75
Rot. Bonds6

About 5-[1-(3-ethoxy-4-methoxyphenyl)ethenyl]-2-methoxyaniline

5-[1-(3-ethoxy-4-methoxyphenyl)ethenyl]-2-methoxyaniline (PubChem CID 11594581) has the molecular formula C18H21NO3 and a molecular weight of 299.37 g/mol. Its IUPAC name is 5-[1-(3-ethoxy-4-methoxyphenyl)ethenyl]-2-methoxyaniline.

Molecular Properties

Compound Name5-[1-(3-ethoxy-4-methoxyphenyl)ethenyl]-2-methoxyaniline
PubChem CID11594581
Molecular FormulaC18H21NO3
Molecular Weight299.37 g/mol
Exact Mass299.15
IUPAC Name5-[1-(3-ethoxy-4-methoxyphenyl)ethenyl]-2-methoxyaniline
SMILESC=C(c1ccc(OC)c(N)c1)c1ccc(OC)c(OCC)c1
InChIInChI=1S/C18H21NO3/c1-5-22-18-11-14(7-9-17(18)21-4)12(2)13-6-8-16(20-3)15(19)10-13/h6-11H,2,5,19H2,1,3-4H3
InChIKeyORAJNHMNYRYHHV-UHFFFAOYSA-N
XLogP3.75
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 53.75
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-ethoxy-4-methoxyphenyl)ethenyl]-2-methoxyaniline?
The IUPAC name of 5-[1-(3-ethoxy-4-methoxyphenyl)ethenyl]-2-methoxyaniline (CID 11594581) is 5-[1-(3-ethoxy-4-methoxyphenyl)ethenyl]-2-methoxyaniline.
What is the SMILES notation for 5-[1-(3-ethoxy-4-methoxyphenyl)ethenyl]-2-methoxyaniline?
The canonical SMILES for 5-[1-(3-ethoxy-4-methoxyphenyl)ethenyl]-2-methoxyaniline is C=C(c1ccc(OC)c(N)c1)c1ccc(OC)c(OCC)c1.
What is the InChIKey of 5-[1-(3-ethoxy-4-methoxyphenyl)ethenyl]-2-methoxyaniline?
The InChIKey is ORAJNHMNYRYHHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO3/c1-5-22-18-11-14(7-9-17(18)21-4)12(2)13-6-8-16(20-3)15(19)10-13/h6-11H,2,5,19H2,1,3-4H3.
What are the key properties of 5-[1-(3-ethoxy-4-methoxyphenyl)ethenyl]-2-methoxyaniline?
5-[1-(3-ethoxy-4-methoxyphenyl)ethenyl]-2-methoxyaniline has a molecular weight of 299.37 g/mol, XLogP of 3.75, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(3-ethoxy-4-methoxyphenyl)ethenyl]-2-methoxyaniline is sourced from PubChem (CID 11594581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).