Molecule record

(4-pentylphenyl)methanamine

C12H19N

177.29 g/mol

Loading structure

Molecular properties

Formula
C12H19N
Molar mass
177.29 g·mol−1
Exact mass
177.1517 Da
4
PubChem CID
2775785

Functional groups

Alkane / alkyl carbon
Aromatic ring
Primary amine

Physical properties

No source-backed physical properties are curated for this molecule yet.

Common names and synonyms

  • 105254-44-2
  • 4-pentylbenzylamine
  • AKOS006228692
  • CDS1_000183
  • DivK1c_001223
  • FP66646
  • Maybridge1_002471
  • QIEDWVJRICQSAL-UHFFFAOYSA-N
Show all 11 synonyms
  • SCHEMBL22437591
  • SCHEMBL395434
  • SCHEMBL4186113

Structure identifiers

Canonical SMILES
CCCCCc1ccc(CN)cc1
Isomeric SMILES
CCCCCC1=CC=C(C=C1)CN
InChI
InChI=1S/C12H19N/c1-2-3-4-5-11-6-8-12(10-13)9-7-11/h6-9H,2-5,10,13H2,1H3
InChIKey
QIEDWVJRICQSAL-UHFFFAOYSA-N
PubChem CID
2775785

Spectroscopy

Tabs appear only for spectra stored with clear provenance.

Open library
No redistributable or simulated spectroscopy record is attached yet.

Simulated NMR

On-demand educational prediction for (4-pentylphenyl)methanamine; not experimental data.

Simulated EI mass spectrum

On-demand educational fragmentation for (4-pentylphenyl)methanamine; not experimental data.

Sources

Molecule identity

Retrieved 8/20/2026. Reuse status is summarized by the badge; open the source for full details.

Open source record