3-(propan-2-yloxy)aniline (C9H13NO)

3-(propan-2-yloxy)aniline presents a C9 framework, aromatic rings, basic nitrogen (formula C9H13NO, CAS 41406-00-2). ChemicalTool Reaction can propose ranked disconnections for 3-(propan-2-yloxy)aniline from the SMILES CC(C)Oc1cccc(N)c1.

Target: 3-(propan-2-yloxy)aniline
CAS: 41406-00-2
Formula: C9H13NO
Approx. MW: 151.21
SMILES: CC(C)Oc1cccc(N)c1
PubChem CID: 573220
Approx. carbons: C9

3-(propan-2-yloxy)aniline structure

Properties

IUPAC name: 3-propan-2-yloxyaniline
Common names: 3-(propan-2-yloxy)aniline; RefChem:496007; 628-701-2; 3-Isopropoxyaniline; 41406-00-2; 3-propan-2-yloxyaniline; m-Isopropoxyaniline; 3-Isopropoxy-phenylamine; Benzenamine, 3-(1-methylethoxy)-; 3-isopropoxy aniline
Molecular weight: 151.21
Exact mass: 151.10
InChIKey: QMGBIPKOKCSUCL-UHFFFAOYSA-N

View on PubChem

3-(propan-2-yloxy)aniline 1H / 13C NMR spectrum →

FAQ

What is the chemical formula of 3-(propan-2-yloxy)aniline?

3-(propan-2-yloxy)aniline has molecular formula C9H13NO. Molecular weight about 151.21 g·mol⁻¹.

What is the CAS number of 3-(propan-2-yloxy)aniline?

The CAS Registry Number for 3-(propan-2-yloxy)aniline is 41406-00-2.

Run AI retrosynthesis for 3-(propan-2-yloxy)aniline Target catalog AI tools overview

Open the planner with 3-(propan-2-yloxy)aniline preloaded, then keep routes that match CAS 41406-00-2.

Related targets

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References & tools

ChemicalTool Reaction — AI retrosynthesis with optional library evidence.
PubChem — compound identifiers and structure depictions (NIH/NCBI).
Related: AiZynthFinder / synthesis planning literature for computer-aided retrosynthesis.