Molecule record

2-propan-2-ylaniline

C9H13N

135.21 g/mol

Loading structure

Molecular properties

Formula
C9H13N
Molar mass
135.21 g·mol−1
Exact mass
135.1048 Da
4
PubChem CID
12561

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

  • 2-(1-Methylethyl)benzenamine
  • 2-Aminocumene
  • 2-Aminoisopropylbenzene
  • 2-ISOPROPYLANILINE
  • 2-Isopropyl aniline
  • 2-i-propylaniline
  • 2-iso-propyl aniline
  • 211-397-7
Show all 24 synonyms
  • 643-28-7
  • AKOS000119737
  • Aniline, o-isopropyl-
  • BN8UZ4TE5F
  • Benzenamine, 2-(1-methylethyl)-
  • DTXCID0030900
  • DTXSID6052328
  • MFCD00007720
  • RefChem:473920
  • SY006015
  • Tox21_303899
  • YKOLZVXSPGIIBJ-UHFFFAOYSA-
  • o-Aminocumene
  • o-Aminoisopropylbenzene
  • o-Cumidine
  • o-Isopropylaniline

Structure identifiers

Canonical SMILES
CC(C)c1ccccc1N
Isomeric SMILES
CC(C)C1=CC=CC=C1N
InChI
InChI=1S/C9H13N/c1-7(2)8-5-3-4-6-9(8)10/h3-7H,10H2,1-2H3
InChIKey
YKOLZVXSPGIIBJ-UHFFFAOYSA-N
PubChem CID
12561

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 2-propan-2-ylaniline; not experimental data.

Simulated EI mass spectrum

On-demand educational fragmentation for 2-propan-2-ylaniline; 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
2-propan-2-ylaniline - Formula, Structure | ChemArche