2-but-3-enoxy-N-[2-(2-methoxyphenoxy)ethyl]ethanamine

C15H23NO3 — CID 106401757

IUPAC2-but-3-enoxy-N-[2-(2-methoxyphenoxy)ethyl]ethanamine
SMILESC=CCCOCCNCCOc1ccccc1OC
InChIInChI=1S/C15H23NO3/c1-3-4-11-18-12-9-16-10-13-19-15-8-6-5-7-14(15)17-2/h3,5-8,16H,1,4,9-13H2,2H3
InChIKeyQYQXRSIVXFWESY-UHFFFAOYSA-N
MW265.35 g/mol
LogP2.26
Rot. Bonds11

About 2-but-3-enoxy-N-[2-(2-methoxyphenoxy)ethyl]ethanamine

2-but-3-enoxy-N-[2-(2-methoxyphenoxy)ethyl]ethanamine (PubChem CID 106401757) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is 2-but-3-enoxy-N-[2-(2-methoxyphenoxy)ethyl]ethanamine.

Molecular Properties

Compound Name2-but-3-enoxy-N-[2-(2-methoxyphenoxy)ethyl]ethanamine
PubChem CID106401757
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Name2-but-3-enoxy-N-[2-(2-methoxyphenoxy)ethyl]ethanamine
SMILESC=CCCOCCNCCOc1ccccc1OC
InChIInChI=1S/C15H23NO3/c1-3-4-11-18-12-9-16-10-13-19-15-8-6-5-7-14(15)17-2/h3,5-8,16H,1,4,9-13H2,2H3
InChIKeyQYQXRSIVXFWESY-UHFFFAOYSA-N
XLogP2.26
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-but-3-enoxy-2-methoxybenzene
CID 56629510
1-[2-(2-methoxyphenoxy)ethylamino]-2-methylpropan-2-ol
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CID 54796021
2-but-3-enoxy-N-[(2,3,4-trimethoxyphenyl)methyl]ethanamine
CID 103854363
N-[2-(2-propoxyphenoxy)ethyl]prop-2-en-1-amine
CID 55092999
2-(2-methoxyphenoxy)-N-(2-methylsulfonylethyl)ethanamine
CID 55024329
N-(2-but-3-enoxyethyl)-3-phenylbutan-1-amine
CID 107095208
N-[2-(2-methoxyphenoxy)ethyl]-2-methylpropan-1-amine;hydrochloride
CID 117067322
N-ethyl-2-(2-prop-2-enoxyphenoxy)ethanamine;hydrochloride
CID 6458959
2-(2-methoxyphenoxy)-N-methylethanamine;hydrochloride
CID 19749083
(2R)-1-[(E)-hex-3-enoxy]-3-[2-(2-methoxyphenoxy)ethylamino]propan-2-ol
CID 125487765
2-(2-methoxyphenoxy)-N-[2-[(6-methoxy-2-pyridinyl)oxy]ethyl]ethanamine
CID 70605196

Frequently Asked Questions

What is the IUPAC name of 2-but-3-enoxy-N-[2-(2-methoxyphenoxy)ethyl]ethanamine?
The IUPAC name of 2-but-3-enoxy-N-[2-(2-methoxyphenoxy)ethyl]ethanamine (CID 106401757) is 2-but-3-enoxy-N-[2-(2-methoxyphenoxy)ethyl]ethanamine.
What is the SMILES notation for 2-but-3-enoxy-N-[2-(2-methoxyphenoxy)ethyl]ethanamine?
The canonical SMILES for 2-but-3-enoxy-N-[2-(2-methoxyphenoxy)ethyl]ethanamine is C=CCCOCCNCCOc1ccccc1OC.
What is the InChIKey of 2-but-3-enoxy-N-[2-(2-methoxyphenoxy)ethyl]ethanamine?
The InChIKey is QYQXRSIVXFWESY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-3-4-11-18-12-9-16-10-13-19-15-8-6-5-7-14(15)17-2/h3,5-8,16H,1,4,9-13H2,2H3.
What are the key properties of 2-but-3-enoxy-N-[2-(2-methoxyphenoxy)ethyl]ethanamine?
2-but-3-enoxy-N-[2-(2-methoxyphenoxy)ethyl]ethanamine has a molecular weight of 265.35 g/mol, XLogP of 2.26, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-but-3-enoxy-N-[2-(2-methoxyphenoxy)ethyl]ethanamine is sourced from PubChem (CID 106401757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).