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N-Pentyl-2-(3,4-methylenedioxyphenyl)propan-1-amine

View entire compound with spectra: 1 FTIR, and 1 MS (GC)

N-Pentyl-2-(3,4-methylenedioxyphenyl)propan-1-amine
SpectraBase Compound ID 1sCC1910PF9
InChI InChI=1S/C15H23NO2/c1-3-4-5-8-16-10-12(2)13-6-7-14-15(9-13)18-11-17-14/h6-7,9,12,16H,3-5,8,10-11H2,1-2H3
InChIKey YVVHFYKEORFKBR-UHFFFAOYSA-N
Mol Weight 249.35 g/mol
Molecular Formula C15H23NO2
Exact Mass 249.172879 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID Kb9OugTGVwJ
Name N-Pentyl-2-(3,4-methylenedioxyphenyl)propan-1-amine
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 249.172878983 u
Formula C15H23NO2
InChI InChI=1S/C15H23NO2/c1-3-4-5-8-16-10-12(2)13-6-7-14-15(9-13)18-11-17-14/h6-7,9,12,16H,3-5,8,10-11H2,1-2H3
InChIKey YVVHFYKEORFKBR-UHFFFAOYSA-N
Molecular Weight 249.354 g/mol
SMILES C1=2C(=CC=C(C(CNCCCCC)C)C2)OCO1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.896012