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

C19H23NO3 — CID 69204757

IUPAC5-[1-(3-ethoxy-4-methoxyphenyl)prop-1-enyl]-2-methoxyaniline
SMILESCC=C(c1ccc(OC)c(N)c1)c1ccc(OC)c(OCC)c1
InChIInChI=1S/C19H23NO3/c1-5-15(13-7-9-17(21-3)16(20)11-13)14-8-10-18(22-4)19(12-14)23-6-2/h5,7-12H,6,20H2,1-4H3
InChIKeyBBFUTODDWZBMQP-UHFFFAOYSA-N
MW313.40 g/mol
LogP4.14
Rot. Bonds6

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

5-[1-(3-ethoxy-4-methoxyphenyl)prop-1-enyl]-2-methoxyaniline (PubChem CID 69204757) has the molecular formula C19H23NO3 and a molecular weight of 313.40 g/mol. Its IUPAC name is 5-[1-(3-ethoxy-4-methoxyphenyl)prop-1-enyl]-2-methoxyaniline.

Molecular Properties

Compound Name5-[1-(3-ethoxy-4-methoxyphenyl)prop-1-enyl]-2-methoxyaniline
PubChem CID69204757
Molecular FormulaC19H23NO3
Molecular Weight313.40 g/mol
Exact Mass313.17
IUPAC Name5-[1-(3-ethoxy-4-methoxyphenyl)prop-1-enyl]-2-methoxyaniline
SMILESCC=C(c1ccc(OC)c(N)c1)c1ccc(OC)c(OCC)c1
InChIInChI=1S/C19H23NO3/c1-5-15(13-7-9-17(21-3)16(20)11-13)14-8-10-18(22-4)19(12-14)23-6-2/h5,7-12H,6,20H2,1-4H3
InChIKeyBBFUTODDWZBMQP-UHFFFAOYSA-N
XLogP4.14
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-[1-(3-ethoxy-4-methoxyphenyl)prop-1-enyl]-2-methoxyaniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[1-(3-ethoxy-4-methoxyphenyl)prop-1-enyl]-2-methoxyaniline?
The IUPAC name of 5-[1-(3-ethoxy-4-methoxyphenyl)prop-1-enyl]-2-methoxyaniline (CID 69204757) is 5-[1-(3-ethoxy-4-methoxyphenyl)prop-1-enyl]-2-methoxyaniline.
What is the SMILES notation for 5-[1-(3-ethoxy-4-methoxyphenyl)prop-1-enyl]-2-methoxyaniline?
The canonical SMILES for 5-[1-(3-ethoxy-4-methoxyphenyl)prop-1-enyl]-2-methoxyaniline is CC=C(c1ccc(OC)c(N)c1)c1ccc(OC)c(OCC)c1.
What is the InChIKey of 5-[1-(3-ethoxy-4-methoxyphenyl)prop-1-enyl]-2-methoxyaniline?
The InChIKey is BBFUTODDWZBMQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO3/c1-5-15(13-7-9-17(21-3)16(20)11-13)14-8-10-18(22-4)19(12-14)23-6-2/h5,7-12H,6,20H2,1-4H3.
What are the key properties of 5-[1-(3-ethoxy-4-methoxyphenyl)prop-1-enyl]-2-methoxyaniline?
5-[1-(3-ethoxy-4-methoxyphenyl)prop-1-enyl]-2-methoxyaniline has a molecular weight of 313.40 g/mol, XLogP of 4.14, 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)prop-1-enyl]-2-methoxyaniline is sourced from PubChem (CID 69204757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).