3,4-Dimethoxyphenethylamine
Properties
- Molecular formula
- C10H15NO2
- Molar mass
- 181.24 g/mol
- Exact mass
- 181.1103 Da
- Melting point
- 124 °C
- Boiling point
- 163–165 °C
- logP
- 1.21Crippen estimate
- Polar surface area
- 44.5 Ų
- H-bond donors / acceptors
- 1 / 3
- Rotatable bonds
- 4
Hazards
Danger
- H302 Harmful if swallowed99.5% of notifiers
- H315 Causes skin irritation92.6% of notifiers
- H317 May cause an allergic skin reaction59.6% of notifiers
- H318 Causes serious eye damage60.6% of notifiers
- H319 Causes serious eye irritation35.5% of notifiers
- H335 May cause respiratory irritation35.5% of notifiers
Aggregated from 203 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P261, P264, P264+P265, P270, P271, P272, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P403+P233, P405, P501
Identifiers
CAS number
120-20-7SMILES
COc1ccc(CCN)cc1OCInChIKey
ANOUKFYBOAKOIR-UHFFFAOYSA-NInChI
InChI=1S/C10H15NO2/c1-12-9-4-3-8(5-6-11)7-10(9)13-2/h3-4,7H,5-6,11H2,1-2H3Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
20 names · show all
- Benzeneethanamine, 3,4-dimethoxy-
- Phenethylamine, 3,4-dimethoxy-
- 3,4-Dimethoxybenzeneethanamine
- 3,4-Di-O-methyldopamine
- β-(3,4-Dimethoxyphenyl)ethylamine
- 3,4-Dimethoxy-β-phenylethylamine
- DIMPEA
- DMPE
- DMPEA
- Homoveratrylamine
- 2-(3,4-Dimethoxyphenyl)ethylamine
- Dopamine dimethyl ether
- O,O-Dimethyldopamine
- 2-(3,4-Dimethoxyphenyl)ethanamine
- NSC 16948
- NSC 26152
- NSC 6328
- 2-(3,4-Dimethoxyphenyl)-1-aminoethane
- 2-(3,4-Dimethoxyphenyl)ethan-1-amine
- 2-(3,4-Dimethoxyphenyl)ethaneamine
Work with 3,4-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
Boiling point under vacuumAt any pressure, from its normal boiling point
Isotope patternExact mass and the mass spectrum pattern
Similar compounds
3-Methoxytyramine554-52-970 % similar
3-Methoxy-4-hydroxyphenylethylamine hydrochloride1477-68-569 % similar
3-Hydroxy-4-methoxyphenethylamine hydrochloride645-33-069 % similar
Veratrylamine5763-61-167 % similar
2-(3,4-Dimethoxyphenyl)ethanol7417-21-263 % similar
2-(4-Methoxyphenyl)ethylamine55-81-260 % similar
1,3-Benzodioxole-5-ethanamine1484-85-159 % similar
3,4-Methylenedioxy-β-phenylethylamine hydrochloride1653-64-159 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.
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-Ethynyl-1-azetidinecarboxylic acid tert-butyl ester287193-01-5
2,3-Dimethoxyphenethylamine3213-29-4
2C-H3600-86-0
(±)-Hydroxyephedrine365-26-4