2,4-Dimethoxybenzylamine

C₉H₁₃NO₂CAS 20781-20-8167.21 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: 1.16Crippen estimate
Polar surface area: 44.5 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 3

Hazards

Danger

H314 Causes severe skin burns and eye damage100% of notifiers
H318 Causes serious eye damage86.3% of notifiers

Aggregated from 51 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P264, P264+P265, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P363, P405, P501

Identifiers

CAS number

20781-20-8

SMILES

COC1=CC(=C(C=C1)CN)OC

InChIKey

QOWBXWFYRXSBAS-UHFFFAOYSA-N

InChI

InChI=1S/C9H13NO2/c1-11-8-4-3-7(6-10)9(5-8)12-2/h3-5H,6,10H2,1-2H3

Weigh it out

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

Work with 2,4-Dimethoxybenzylamine

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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

2,4-Dimethoxybenzylamine hydrochloride20781-21-9Salt

Similar compounds

2,4-Dimethoxybenzyl alcohol7314-44-563 % similar 2-Methoxybenzylamine6850-57-358 % similar 1,2,4-Trimethoxybenzene135-77-355 % similar 2,4-Dimethoxyaniline2735-04-855 % similar 2C-H3600-86-054 % similar (2,4-Dimethoxyphenyl)acetone831-29-854 % similar 1-Fluoro-2,4-dimethoxybenzene17715-70-753 % similar 2,4,6-Trimethoxybenzylamine hydrochloride146548-59-653 % 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 2,6-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 2,5-Dimethoxybenzenemethanamine3275-95-4

Elsewhere

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