3-Methoxy-4-methylaniline

C₈H₁₁NOCAS 16452-01-0137.18 g/mol

Open in Covalent MOL file

Ether Primary amine

Properties

Molecular formula: C₈H₁₁NO
Molar mass: 137.18 g/mol
Exact mass: 137.0841 Da
Melting point: 56.5 °C
Boiling point: 251 °C
Flash point: 112.8 °C
Water solubility: < 1 g/L (15 °C)
logP: 1.59Crippen estimate
Polar surface area: 35.3 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 1

Hazards

Warning

H302 Harmful if swallowed97.7% of notifiers
H312 Harmful in contact with skin97.7% of notifiers
H315 Causes skin irritation90.9% of notifiers
H319 Causes serious eye irritation90.9% of notifiers
H332 Harmful if inhaled11.4% of notifiers
H335 May cause respiratory irritation88.6% of notifiers
H341 Suspected of causing genetic defects11.4% of notifiers

Aggregated from 44 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P203, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P318, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

16452-01-0

SMILES

COc1cc(N)ccc1C

InChIKey

ONADZNBSLRAJFW-UHFFFAOYSA-N

InChI

InChI=1S/C8H11NO/c1-6-3-4-7(9)5-8(6)10-2/h3-5H,9H2,1-2H3

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

10 names

Benzenamine, 3-methoxy-4-methyl-
m-Anisidine, 4-methyl-
3-Methoxy-4-methylbenzenamine
4-Amino-2-methoxytoluene
2-Methoxy-4-aminotoluene
3-Methoxy-p-toluidine
4-Methyl-3-methoxyaniline
(3-Methoxy-4-methylphenyl)amine
5-Amino-2-methylanisole
3-Methoxy-4-toluidine

Work with 3-Methoxy-4-methylaniline

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

3,4-Dimethoxyaniline6315-89-567 % similar 2-Methoxy-1,4-dimethylbenzene1706-11-259 % similar 2,4-Diaminoanisole615-05-459 % similar 4-Chloro-3-methoxyaniline13726-14-258 % similar 4-Bromo-3-methoxyaniline19056-40-758 % similar 4-Amino-2-methoxyphenol52200-90-558 % similar 4-Fluoro-3-methoxyaniline64465-53-858 % similar 3-Iodo-4-methoxybenzenamine74587-12-558 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

4-Methoxy-2-methylaniline102-50-1 2-(4-Aminophenyl)ethanol104-10-9 2-Methoxy-N-methyaniline10541-78-3 para-Cresidine120-71-8 N-(2-Hydroxyethyl)aniline122-98-5 4-Amino-alpha-methylbenzenemethanol14572-89-5 P-Phenetidine156-43-4 Phenoxyethylamine1758-46-9

Elsewhere

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