(3,5-Dimethoxyphenyl)methanamine

C₉H₁₃NO₂CAS 34967-24-3167.21 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: 1.16Crippen estimate
Polar surface area: 44.5 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 3

Hazards

Warning

H315 Causes skin irritation95.1% of notifiers
H319 Causes serious eye irritation95.1% of notifiers
H335 May cause respiratory irritation95.1% of notifiers

Aggregated from 41 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

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

Identifiers

CAS number

34967-24-3

SMILES

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

InChIKey

YGZJTYCCONJJGZ-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Names and synonyms

1 names

3,5-Dimethoxybenzylamine

Work with (3,5-Dimethoxyphenyl)methanamine

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

3-Methoxybenzylamine5071-96-564 % similar 4-Methoxybenzylamine2393-23-962 % similar 3,4,5-Trimethoxybenzylamine18638-99-857 % similar 1,3,5-Trimethoxybenzene621-23-857 % similar 3,5-Dimethoxybenzyl chloride6652-32-056 % similar 3,5-Dimethoxybenzenemethanol705-76-056 % similar 3,5-Dimethoxybenzyl bromide877-88-356 % similar 2,4,6-Trimethoxybenzylamine hydrochloride146548-59-652 % 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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