2,3-Dimethoxyphenethylamine

C₁₀H₁₅NO₂CAS 3213-29-4181.23 g/mol

Open in Covalent MOL file

Ether Primary amine

Properties

Molecular formula: C₁₀H₁₅NO₂
Molar mass: 181.23 g/mol
Exact mass: 181.1103 Da
Boiling point: 190 °C (at 70 Torr)
logP: 1.21Crippen estimate
Polar surface area: 44.5 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 4

Hazards

Danger

H314 Causes severe skin burns and eye damage100% of notifiers
H318 Causes serious eye damage92.9% of notifiers

Aggregated from 42 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

3213-29-4

SMILES

COc1cccc(CCN)c1OC

InChIKey

XKBUFTXNLBWTFP-UHFFFAOYSA-N

InChI

InChI=1S/C10H15NO2/c1-12-9-5-3-4-8(6-7-11)10(9)13-2/h3-5H,6-7,11H2,1-2H3

Weigh it out

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

Names and synonyms

6 names

Benzeneethanamine, 2,3-dimethoxy-
Phenethylamine, 2,3-dimethoxy-
2,3-Dimethoxybenzeneethanamine
2-(2,3-Dimethoxyphenyl)ethylamine
2-(2,3-Dimethoxyphenyl)ethanamine
2-(2,3-Dimethoxyphenyl)ethan-1-amine

Work with 2,3-Dimethoxyphenethylamine

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-Methoxyphenethylamine2045-79-671 % similar 2,3-Dimethoxybenzylamine4393-09-369 % similar 1-(Chloromethyl)-2,3-dimethoxybenzene3893-01-459 % similar 2,3-Dimethoxybenzyl alcohol5653-67-859 % similar 1,2,3-Trimethoxybenzene634-36-655 % similar 3-(2,3-Dimethoxyphenyl)propanoic acid10538-48-455 % similar 2,3-Dimethoxyaniline6299-67-852 % similar 2-Methoxybenzylamine6850-57-350 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

3-(4-Methoxy-phenoxy)-propylamine100841-00-7 3-Azaspiro[5.5]undecane-2,4-dione1130-32-1 (2A,6A,8A,9Ab)-hexahydro-8-hydroxy-2,6-methano-2H-quinolizin-3(4H)-one115956-07-5 N-Phenyldiethanolamine120-07-0 3,4-Dimethoxyphenethylamine120-20-7 3-Ethynyl-1-azetidinecarboxylic acid tert-butyl ester287193-01-5 2C-H3600-86-0 (±)-Hydroxyephedrine365-26-4

Elsewhere

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