2-(2-but-3-en-2-yloxy-4-propoxyphenyl)ethanamine

C15H23NO2 — CID 62383803

IUPAC2-(2-but-3-en-2-yloxy-4-propoxyphenyl)ethanamine
SMILESC=CC(C)Oc1cc(OCCC)ccc1CCN
InChIInChI=1S/C15H23NO2/c1-4-10-17-14-7-6-13(8-9-16)15(11-14)18-12(3)5-2/h5-7,11-12H,2,4,8-10,16H2,1,3H3
InChIKeyIGKLBXWFUQXQBP-UHFFFAOYSA-N
MW249.35 g/mol
LogP2.93
Rot. Bonds8

About 2-(2-but-3-en-2-yloxy-4-propoxyphenyl)ethanamine

2-(2-but-3-en-2-yloxy-4-propoxyphenyl)ethanamine (PubChem CID 62383803) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is 2-(2-but-3-en-2-yloxy-4-propoxyphenyl)ethanamine.

Molecular Properties

Compound Name2-(2-but-3-en-2-yloxy-4-propoxyphenyl)ethanamine
PubChem CID62383803
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name2-(2-but-3-en-2-yloxy-4-propoxyphenyl)ethanamine
SMILESC=CC(C)Oc1cc(OCCC)ccc1CCN
InChIInChI=1S/C15H23NO2/c1-4-10-17-14-7-6-13(8-9-16)15(11-14)18-12(3)5-2/h5-7,11-12H,2,4,8-10,16H2,1,3H3
InChIKeyIGKLBXWFUQXQBP-UHFFFAOYSA-N
XLogP2.93
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(2-but-3-en-2-yloxy-4-propoxyphenyl)ethanamine 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 2-(2-but-3-en-2-yloxy-4-propoxyphenyl)ethanamine?
The IUPAC name of 2-(2-but-3-en-2-yloxy-4-propoxyphenyl)ethanamine (CID 62383803) is 2-(2-but-3-en-2-yloxy-4-propoxyphenyl)ethanamine.
What is the SMILES notation for 2-(2-but-3-en-2-yloxy-4-propoxyphenyl)ethanamine?
The canonical SMILES for 2-(2-but-3-en-2-yloxy-4-propoxyphenyl)ethanamine is C=CC(C)Oc1cc(OCCC)ccc1CCN.
What is the InChIKey of 2-(2-but-3-en-2-yloxy-4-propoxyphenyl)ethanamine?
The InChIKey is IGKLBXWFUQXQBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-4-10-17-14-7-6-13(8-9-16)15(11-14)18-12(3)5-2/h5-7,11-12H,2,4,8-10,16H2,1,3H3.
What are the key properties of 2-(2-but-3-en-2-yloxy-4-propoxyphenyl)ethanamine?
2-(2-but-3-en-2-yloxy-4-propoxyphenyl)ethanamine has a molecular weight of 249.35 g/mol, XLogP of 2.93, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-but-3-en-2-yloxy-4-propoxyphenyl)ethanamine is sourced from PubChem (CID 62383803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).