Basic information
- CAS
39201-82-6- Standard SMILES
CCOc1c(OC)cc(CCN)cc1OC- InChIKey
RHOGRSKNWDNCDN-UHFFFAOYSA-N- Molecular formula
- C12H19NO3
- Average molar mass
- 225.28 g/mol
- Monoisotopic mass
- 225.13649347
Names & identifiers
- Preferred name
- 4-Ethoxy-3,5-dimethoxybenzeneethanamine
- IUPAC
- 2-(4-ethoxy-3,5-dimethoxyphenyl)ethanamine
- English name
- 4-Ethoxy-3,5-dimethoxybenzeneethanamine
- Molecular formula
- C12H19NO3
- Molecular weight
- 225.28
Names & synonyms
Escaline39201-82-64-Ethoxy-3,5-dimethoxybenzeneethanamineQ13F1C1N8IETHYLAMINE, 3,5-DIMETHOXY-4-ETHOXYPHENYL-RefChem:10705852-(4-ethoxy-3,5-dimethoxyphenyl)ethanamineBenzeneethanamine, 4-ethoxy-3,5-dimethoxy-3,5-Dimethoxy-4 ethoxyphenylethylamine3,5-dimethoxy-4-ethoxyphenethylamineCHEMBL319415BRN 3291768
Show more names
UNII-Q13F1C1N8I3,5-Methoxy-4-ethoxyphenethylamineE (PSYCHEDELIC)2-(4-Ethoxy-3,5-dimethoxyphenyl)ethan-1-amineSCHEMBL1119068DTXSID60192455PBA20182BDBM50059893
Database identifiers
- CAS
39201-82-6- PubChem CID
- 38240
- DTXSID
DTXSID60192455- ChEMBL
CHEMBL319415- UNII
- Q13F1C1N8I
- Nikkaji
- J49.886F
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 53.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 175
Experimental & physicochemical properties
DrugsPharmaceuticals -> Synthetic Cannabinoids or Psychoactive Compounds
Physicochemical properties
- Boiling point
- 327.6 · 327.6±37.0 °C(Predicted)
- Density
- 1.05 · 1.050±0.06 g/cm3(Predicted)
- pka
- 9.58 · 9.58±0.10(Predicted)
- FDA UNII
- 13 F1C1N8I · Q13F1C1N8I
Chemistry & industry
Applications
UsesEscaline is a derivative of Phenethylamine (P321335), a psychoactive drug and stimulant that affects dopamine levels. Phenylethylamine functions as a neuromodulator or neurotransmitter in the mammalian central nervous system.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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