3-ethenoxy-N-[(4-methoxyphenyl)methyl]propan-1-amine

C13H19NO2 — CID 4789471

IUPAC3-ethenoxy-N-[(4-methoxyphenyl)methyl]propan-1-amine
SMILESC=COCCCNCc1ccc(OC)cc1
InChIInChI=1S/C13H19NO2/c1-3-16-10-4-9-14-11-12-5-7-13(15-2)8-6-12/h3,5-8,14H,1,4,9-11H2,2H3
InChIKeyXPGAMMRRVUPYBV-UHFFFAOYSA-N
MW221.30 g/mol
LogP2.34
Rot. Bonds8

About 3-ethenoxy-N-[(4-methoxyphenyl)methyl]propan-1-amine

3-ethenoxy-N-[(4-methoxyphenyl)methyl]propan-1-amine (PubChem CID 4789471) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is 3-ethenoxy-N-[(4-methoxyphenyl)methyl]propan-1-amine.

Molecular Properties

Compound Name3-ethenoxy-N-[(4-methoxyphenyl)methyl]propan-1-amine
PubChem CID4789471
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Name3-ethenoxy-N-[(4-methoxyphenyl)methyl]propan-1-amine
SMILESC=COCCCNCc1ccc(OC)cc1
InChIInChI=1S/C13H19NO2/c1-3-16-10-4-9-14-11-12-5-7-13(15-2)8-6-12/h3,5-8,14H,1,4,9-11H2,2H3
InChIKeyXPGAMMRRVUPYBV-UHFFFAOYSA-N
XLogP2.34
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 52.34
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

N-benzyl-3-ethenoxypropan-1-amine
CID 43183138
2-(4-methoxyphenoxy)-N-[(4-methoxyphenyl)methyl]ethanamine
CID 39388259
3-ethenoxy-N-[(4-ethoxy-3-methoxyphenyl)methyl]propan-1-amine
CID 28726433
N'-[(4-methoxyphenyl)methyl]-N-[2-[(4-methoxyphenyl)methylamino]ethyl]ethane-1,2-diamine;hydrochloride
CID 54604345
3-[(4-methoxyphenyl)methylamino]propyl 2-methoxyacetate
CID 82533370
3-ethenoxy-N-(1H-indol-6-ylmethyl)propan-1-amine
CID 102909372
5-iodo-N-[(4-methoxyphenyl)methyl]pentan-1-amine
CID 107319994
N-[(4-methoxyphenyl)methyl]prop-2-en-1-amine;hydrochloride
CID 17291776
1-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]methanamine;dihydrochloride
CID 67859421
2-butoxy-N-[(4-methoxyphenyl)methyl]ethanamine
CID 55137655
2-[6-[(4-methoxyphenyl)methylamino]hexylamino]ethanol
CID 22006364
2-[(4-methoxyphenyl)methylamino]ethanethiol
CID 14306201

Frequently Asked Questions

What is the IUPAC name of 3-ethenoxy-N-[(4-methoxyphenyl)methyl]propan-1-amine?
The IUPAC name of 3-ethenoxy-N-[(4-methoxyphenyl)methyl]propan-1-amine (CID 4789471) is 3-ethenoxy-N-[(4-methoxyphenyl)methyl]propan-1-amine.
What is the SMILES notation for 3-ethenoxy-N-[(4-methoxyphenyl)methyl]propan-1-amine?
The canonical SMILES for 3-ethenoxy-N-[(4-methoxyphenyl)methyl]propan-1-amine is C=COCCCNCc1ccc(OC)cc1.
What is the InChIKey of 3-ethenoxy-N-[(4-methoxyphenyl)methyl]propan-1-amine?
The InChIKey is XPGAMMRRVUPYBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c1-3-16-10-4-9-14-11-12-5-7-13(15-2)8-6-12/h3,5-8,14H,1,4,9-11H2,2H3.
What are the key properties of 3-ethenoxy-N-[(4-methoxyphenyl)methyl]propan-1-amine?
3-ethenoxy-N-[(4-methoxyphenyl)methyl]propan-1-amine has a molecular weight of 221.30 g/mol, XLogP of 2.34, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethenoxy-N-[(4-methoxyphenyl)methyl]propan-1-amine is sourced from PubChem (CID 4789471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).