3-ethenoxy-N-[1-(2-methoxy-5-methylphenyl)ethyl]propan-1-amine

C15H23NO2 — CID 43207324

IUPAC3-ethenoxy-N-[1-(2-methoxy-5-methylphenyl)ethyl]propan-1-amine
SMILESC=COCCCNC(C)c1cc(C)ccc1OC
InChIInChI=1S/C15H23NO2/c1-5-18-10-6-9-16-13(3)14-11-12(2)7-8-15(14)17-4/h5,7-8,11,13,16H,1,6,9-10H2,2-4H3
InChIKeyJUCFUYDPGVXZDO-UHFFFAOYSA-N
MW249.35 g/mol
LogP3.20
Rot. Bonds8

About 3-ethenoxy-N-[1-(2-methoxy-5-methylphenyl)ethyl]propan-1-amine

3-ethenoxy-N-[1-(2-methoxy-5-methylphenyl)ethyl]propan-1-amine (PubChem CID 43207324) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is 3-ethenoxy-N-[1-(2-methoxy-5-methylphenyl)ethyl]propan-1-amine.

Molecular Properties

Compound Name3-ethenoxy-N-[1-(2-methoxy-5-methylphenyl)ethyl]propan-1-amine
PubChem CID43207324
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name3-ethenoxy-N-[1-(2-methoxy-5-methylphenyl)ethyl]propan-1-amine
SMILESC=COCCCNC(C)c1cc(C)ccc1OC
InChIInChI=1S/C15H23NO2/c1-5-18-10-6-9-16-13(3)14-11-12(2)7-8-15(14)17-4/h5,7-8,11,13,16H,1,6,9-10H2,2-4H3
InChIKeyJUCFUYDPGVXZDO-UHFFFAOYSA-N
XLogP3.20
TPSA30.49 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 ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-ethenoxy-N-[1-(2-methylphenyl)ethyl]propan-1-amine
CID 43207304
3-ethenoxy-N-[1-(4-methylphenyl)ethyl]propan-1-amine
CID 43207255
4-[1-(3-ethenoxypropylamino)ethyl]-2-methoxyphenol
CID 43207308
3-[1-(2-methoxy-5-methylphenyl)ethylamino]propanenitrile
CID 43183220
N-[1-(2-methoxy-5-methylphenyl)ethyl]-3-piperidin-1-ylpropan-1-amine
CID 43098922
N-[1-(2-methoxy-5-methylphenyl)ethyl]-3-pyrazol-1-ylpropan-1-amine
CID 75382566
N-(2-cyclobutylethyl)-1-(2-methoxy-5-methylphenyl)ethanamine
CID 113348858
1-(2-methoxy-5-methylphenyl)-N-[2-(2-methylphenyl)ethyl]ethanamine
CID 79756686
N-(2-methoxyethyl)-2-[1-(2-methoxy-5-methylphenyl)ethylamino]acetamide
CID 115573579
N-[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]-3-(1-methylpyrazol-4-yl)propan-1-amine
CID 97231363
1-(2-methoxy-5-methylphenyl)-N-(2-piperidin-1-ylethyl)ethanamine
CID 60695784
N-[1-(2-hept-6-enoxy-5-methylphenyl)ethyl]propan-1-amine
CID 107006103

Frequently Asked Questions

What is the IUPAC name of 3-ethenoxy-N-[1-(2-methoxy-5-methylphenyl)ethyl]propan-1-amine?
The IUPAC name of 3-ethenoxy-N-[1-(2-methoxy-5-methylphenyl)ethyl]propan-1-amine (CID 43207324) is 3-ethenoxy-N-[1-(2-methoxy-5-methylphenyl)ethyl]propan-1-amine.
What is the SMILES notation for 3-ethenoxy-N-[1-(2-methoxy-5-methylphenyl)ethyl]propan-1-amine?
The canonical SMILES for 3-ethenoxy-N-[1-(2-methoxy-5-methylphenyl)ethyl]propan-1-amine is C=COCCCNC(C)c1cc(C)ccc1OC.
What is the InChIKey of 3-ethenoxy-N-[1-(2-methoxy-5-methylphenyl)ethyl]propan-1-amine?
The InChIKey is JUCFUYDPGVXZDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-5-18-10-6-9-16-13(3)14-11-12(2)7-8-15(14)17-4/h5,7-8,11,13,16H,1,6,9-10H2,2-4H3.
What are the key properties of 3-ethenoxy-N-[1-(2-methoxy-5-methylphenyl)ethyl]propan-1-amine?
3-ethenoxy-N-[1-(2-methoxy-5-methylphenyl)ethyl]propan-1-amine has a molecular weight of 249.35 g/mol, XLogP of 3.20, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethenoxy-N-[1-(2-methoxy-5-methylphenyl)ethyl]propan-1-amine is sourced from PubChem (CID 43207324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).