3-methoxy-N-[2-(2-prop-2-enylphenoxy)ethyl]propan-1-amine

C15H23NO2 — CID 2296879

IUPAC3-methoxy-N-[2-(2-prop-2-enylphenoxy)ethyl]propan-1-amine
SMILESC=CCc1ccccc1OCCNCCCOC
InChIInChI=1S/C15H23NO2/c1-3-7-14-8-4-5-9-15(14)18-13-11-16-10-6-12-17-2/h3-5,8-9,16H,1,6-7,10-13H2,2H3
InChIKeyVQUHNMZIUBLWJW-UHFFFAOYSA-N
MW249.35 g/mol
LogP2.42
Rot. Bonds10

About 3-methoxy-N-[2-(2-prop-2-enylphenoxy)ethyl]propan-1-amine

3-methoxy-N-[2-(2-prop-2-enylphenoxy)ethyl]propan-1-amine (PubChem CID 2296879) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is 3-methoxy-N-[2-(2-prop-2-enylphenoxy)ethyl]propan-1-amine.

Molecular Properties

Compound Name3-methoxy-N-[2-(2-prop-2-enylphenoxy)ethyl]propan-1-amine
PubChem CID2296879
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name3-methoxy-N-[2-(2-prop-2-enylphenoxy)ethyl]propan-1-amine
SMILESC=CCc1ccccc1OCCNCCCOC
InChIInChI=1S/C15H23NO2/c1-3-7-14-8-4-5-9-15(14)18-13-11-16-10-6-12-17-2/h3-5,8-9,16H,1,6-7,10-13H2,2H3
InChIKeyVQUHNMZIUBLWJW-UHFFFAOYSA-N
XLogP2.42
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-[2-(2-prop-2-enylphenoxy)ethyl]propan-1-amine?
The IUPAC name of 3-methoxy-N-[2-(2-prop-2-enylphenoxy)ethyl]propan-1-amine (CID 2296879) is 3-methoxy-N-[2-(2-prop-2-enylphenoxy)ethyl]propan-1-amine.
What is the SMILES notation for 3-methoxy-N-[2-(2-prop-2-enylphenoxy)ethyl]propan-1-amine?
The canonical SMILES for 3-methoxy-N-[2-(2-prop-2-enylphenoxy)ethyl]propan-1-amine is C=CCc1ccccc1OCCNCCCOC.
What is the InChIKey of 3-methoxy-N-[2-(2-prop-2-enylphenoxy)ethyl]propan-1-amine?
The InChIKey is VQUHNMZIUBLWJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-3-7-14-8-4-5-9-15(14)18-13-11-16-10-6-12-17-2/h3-5,8-9,16H,1,6-7,10-13H2,2H3.
What are the key properties of 3-methoxy-N-[2-(2-prop-2-enylphenoxy)ethyl]propan-1-amine?
3-methoxy-N-[2-(2-prop-2-enylphenoxy)ethyl]propan-1-amine has a molecular weight of 249.35 g/mol, XLogP of 2.42, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-[2-(2-prop-2-enylphenoxy)ethyl]propan-1-amine is sourced from PubChem (CID 2296879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).