N-(3-ethenoxypropyl)-1-(4-methoxyphenyl)propan-1-amine

C15H23NO2 — CID 43207314

IUPACN-(3-ethenoxypropyl)-1-(4-methoxyphenyl)propan-1-amine
SMILESC=COCCCNC(CC)c1ccc(OC)cc1
InChIInChI=1S/C15H23NO2/c1-4-15(16-11-6-12-18-5-2)13-7-9-14(17-3)10-8-13/h5,7-10,15-16H,2,4,6,11-12H2,1,3H3
InChIKeyLKUXSONXPCVBGC-UHFFFAOYSA-N
MW249.35 g/mol
LogP3.29
Rot. Bonds9

About N-(3-ethenoxypropyl)-1-(4-methoxyphenyl)propan-1-amine

N-(3-ethenoxypropyl)-1-(4-methoxyphenyl)propan-1-amine (PubChem CID 43207314) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is N-(3-ethenoxypropyl)-1-(4-methoxyphenyl)propan-1-amine.

Molecular Properties

Compound NameN-(3-ethenoxypropyl)-1-(4-methoxyphenyl)propan-1-amine
PubChem CID43207314
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC NameN-(3-ethenoxypropyl)-1-(4-methoxyphenyl)propan-1-amine
SMILESC=COCCCNC(CC)c1ccc(OC)cc1
InChIInChI=1S/C15H23NO2/c1-4-15(16-11-6-12-18-5-2)13-7-9-14(17-3)10-8-13/h5,7-10,15-16H,2,4,6,11-12H2,1,3H3
InChIKeyLKUXSONXPCVBGC-UHFFFAOYSA-N
XLogP3.29
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 53.29
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-(2-methoxyethyl)-1-(4-methoxyphenyl)propan-1-amine
CID 43177275
5-[1-(4-methoxyphenyl)propylamino]pentan-1-ol
CID 113350455
N-(3-ethylsulfanylpropyl)-1-(4-methoxyphenyl)propan-1-amine
CID 115899650
4,4,4-trifluoro-N-[1-(4-methoxyphenyl)propyl]butan-1-amine
CID 81342777
4-[1-(4-methoxyphenyl)propylamino]butanoic acid
CID 54920949
1-(4-methoxyphenyl)-N-[2-(4-methoxyphenyl)ethyl]propan-1-amine
CID 43823991
1-(4-methoxyphenyl)-N-(2-methylsulfanylethyl)propan-1-amine
CID 60697408
1-(4-methoxyphenyl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]propan-1-amine
CID 63828903
N-(2-methoxyethyl)-3-[1-(4-methoxyphenyl)propylamino]propanamide
CID 115711958
N-(1,2-diphenylethyl)-3-ethenoxypropan-1-amine
CID 43100461
N-[2-(4-methoxyphenyl)ethyl]-1-(4-methylphenyl)propan-1-amine
CID 43078211
3-ethenoxy-N-[1-[4-(2-methylpropoxy)phenyl]ethyl]propan-1-amine
CID 43102840

Frequently Asked Questions

What is the IUPAC name of N-(3-ethenoxypropyl)-1-(4-methoxyphenyl)propan-1-amine?
The IUPAC name of N-(3-ethenoxypropyl)-1-(4-methoxyphenyl)propan-1-amine (CID 43207314) is N-(3-ethenoxypropyl)-1-(4-methoxyphenyl)propan-1-amine.
What is the SMILES notation for N-(3-ethenoxypropyl)-1-(4-methoxyphenyl)propan-1-amine?
The canonical SMILES for N-(3-ethenoxypropyl)-1-(4-methoxyphenyl)propan-1-amine is C=COCCCNC(CC)c1ccc(OC)cc1.
What is the InChIKey of N-(3-ethenoxypropyl)-1-(4-methoxyphenyl)propan-1-amine?
The InChIKey is LKUXSONXPCVBGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-4-15(16-11-6-12-18-5-2)13-7-9-14(17-3)10-8-13/h5,7-10,15-16H,2,4,6,11-12H2,1,3H3.
What are the key properties of N-(3-ethenoxypropyl)-1-(4-methoxyphenyl)propan-1-amine?
N-(3-ethenoxypropyl)-1-(4-methoxyphenyl)propan-1-amine has a molecular weight of 249.35 g/mol, XLogP of 3.29, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethenoxypropyl)-1-(4-methoxyphenyl)propan-1-amine is sourced from PubChem (CID 43207314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).