Home/Chemicals/31828-71-4

Chemical substance record

Mexiletine

31828-71-4C₁₁H₁₇NO179.263 g/mol

Organic/Inorganic Small MoleculeChEBI source record

An aromatic ether which is 2,6-dimethylphenyl ether of 2-aminopropan-1-ol. — ChEBI

Safety references

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Identity & molecular properties

Source-linked values

CAS number	31828-71-4	ChEBI ↗
Molecular formula	C₁₁H₁₇NO	ChEBI ↗
Molar mass	179.263 g/mol	ChEBI ↗
Monoisotopic mass	179.13101 Da	ChEBI ↗
Formal charge	0	ChEBI ↗
ChEBI identifier	CHEBI:6916	ChEBI ↗

Cross-source molecular data

PubChem

Molar mass	179.26 g/mol	PubChem ↗
Exact mass	179.131014166 Da	PubChem ↗
Computed XLogP	2.1	PubChem ↗
Topological polar surface area (Å²)	35.3	PubChem ↗
H-bond donors	1	PubChem ↗
H-bond acceptors	2	PubChem ↗
Rotatable bonds	3	PubChem ↗

PubChem computed values are shown separately from the ChEBI record. An exact InChIKey match was used to connect the records. Molecular descriptors do not describe a supplied product’s purity, particle size or performance.

Names & structural identifiers

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Source preferred name

mexiletine

IUPAC name

1-(2,6-dimethylphenoxy)propan-2-amine

InChIKey

VLPIATFUUWWMKC-UHFFFAOYSA-N

SMILES

Cc1cccc(C)c1OCC(C)N

InChI

InChI=1S/C11H17NO/c1-8-5-4-6-9(2)11(8)13-7-10(3)12/h4-6,10H,7,12H2,1-3H3

Names & synonyms

1-(2,6-dimethylphenoxy)propan-2-aminemexiletinamexiletinum

Names are supplied by ChEBI. Trade names and related synonyms may describe a broader product context.

Classification & relationships

ChEBI ontology

aromatic etherChEBI parent class · 35618 ↗primary amino compoundChEBI parent class · 50994 ↗

ether organic molecular entity

Roles recorded in ChEBI

analgesiccardiovascular druganti-arrhythmia drugantispasmodic drug

Database role annotations describe reported biological or chemical roles; they are not product approvals or recommendations for use.

Mass ↔ amount of substance

Calculated from sourced mass

Amount

Input unit

Equivalent amount

0.0055784 mol

Uses 179.263 g/mol from ChEBI. Assumes the substance described by this record; no purity or concentration correction is applied.

Elemental composition

Theoretical mass fractions

C

Carbon · 11 atoms

73.70%

H

Hydrogen · 17 atoms

9.56%

O

Oxygen · 1 atom

8.92%

N

Nitrogen · 1 atom

7.81%

Calculated theoretical mass fractions from the reported formula and PubChem periodic-table atomic masses. These are not assay or purity results.

Research & patent references

Selected source associations

Systemic administration of mexiletine for attenuation of cerebral vasospasm following experimental subarachnoid haemorrhage. ↗Acta neurochirurgica · 2000 · PMID 10883344

Efficacy of oral mexiletine for neuropathic pain with allodynia: a double-blind, placebo-controlled, crossover study. ↗Regional anesthesia and pain medicine · 2000 Sep-Oct · PMID 11009230

FR1551055 · Patent reference ↗Patent cross-reference supplied by ChEBI. Association alone does not establish claim scope.

US3954872 · Patent reference ↗Patent cross-reference supplied by ChEBI. Association alone does not establish claim scope.

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Sources & record history

Checked 27 Sep 2026

Identity, formula, mass, synonyms & ontologyEMBL-EBI ChEBI · CHEBI:6916

Release 255, 9 September 2026. ChEBI three-star (manually annotated) source entry. View original record ↗ · CC BY 4.0

Additional molecular descriptorsNCBI PubChem · CID 4178 · retrieved 2026-09-27

PubCAS formats source data, connects references and computes explicitly labelled conversions. CAS cross-references are supplied by ChEBI; they do not constitute CAS verification or endorsement.

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