2,6-Dimethoxybenzylamine

C9H13NO2CAS 20781-22-0167.21 g/mol

Open in Covalent MOL file
OONH2
EtherPrimary 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 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
3

Hazards

Danger
Corrosive (GHS05)Irritant (GHS07)

Aggregated from 5 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P261, P264, P271, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P319, P321, P363, P403+P233, P405, P501

Identifiers

CAS number
20781-22-0
SMILES
COC1=C(C(=CC=C1)OC)CN
InChIKey
XEKGMBAKVJAVAZ-UHFFFAOYSA-N
InChI
InChI=1S/C9H13NO2/c1-11-8-4-3-5-9(12-2)7(8)6-10/h3-5H,6,10H2,1-2H3

Weigh it out

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

Work with 2,6-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

Similar compounds

2-Fluoro-6-methoxybenzylamine150517-75-272 % similar 2-Methoxybenzylamine6850-57-361 % similar 2,3-Dimethoxybenzylamine4393-09-360 % similar 2,4,6-Trimethoxybenzylamine hydrochloride146548-59-655 % similar 2,6-Dimethoxyaniline2734-70-552 % similar 1,2,3-Trimethoxybenzene634-36-650 % similar 1,2-Dimethoxybenzene91-16-750 % similar Veratrylamine5763-61-148 % 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 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

PubChem CAS Common Chemistry NIST WebBook