4,5-Dimethoxy-2-methylaniline

C₉H₁₃NO₂CAS 41864-45-3167.21 g/mol

Open in Covalent MOL file

Ether Primary amine

Properties

Molecular formula: C₉H₁₃NO₂
Molar mass: 167.21 g/mol
Exact mass: 167.0946 Da
logP: 1.59Crippen estimate
Polar surface area: 44.5 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 2

Hazards

Warning

H302 Harmful if swallowed50% of notifiers
H312 Harmful in contact with skin50% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H332 Harmful if inhaled50% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 2 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

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

Identifiers

CAS number

41864-45-3

SMILES

CC1=CC(=C(C=C1N)OC)OC

InChIKey

BLAYBVPASDNLJM-UHFFFAOYSA-N

InChI

InChI=1S/C9H13NO2/c1-6-4-8(11-2)9(12-3)5-7(6)10/h4-5H,10H2,1-3H3

Weigh it out

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

Work with 4,5-Dimethoxy-2-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 Isotope patternExact mass and the mass spectrum pattern

Similar compounds

2,5-Dimethyl-p-phenylenediamine6393-01-759 % similar 2,4,5-Trimethylaniline137-17-757 % similar 4-Methoxy-2-methylaniline102-50-152 % similar 5-Methoxy-o-toluidine50868-72-952 % similar 4-Chloro-2-methoxy-5-methylaniline6376-14-352 % similar 3-Methoxy-4-methylaniline16452-01-050 % similar 2,3,4,5-Tetramethoxytoluene35896-58-350 % similar 2-Amino-4,5-dimethoxybenzonitrile26961-27-348 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Azaspirodecanedione1075-89-4 1-Cyanocyclohexaneacetic acid133481-09-1 2-(2-Methoxyphenoxy)ethanamine1836-62-0 2,4-Dimethoxybenzylamine20781-20-8 2,6-Dimethoxybenzylamine20781-22-0 Ethyl 3,5-dimethyl-1H-pyrrole-2-carboxylate2199-44-2 Ethyl 2,4-dimethyl-1H-pyrrole-3-carboxylate2199-51-1 (1S,2S)-2-Amino-1-phenyl-1,3-propanediol28143-91-1

Elsewhere

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