Basic information
- CAS
63918-08-1- Standard SMILES
CCOc1cc(CCN)cc(OC)c1OCC- InChIKey
VFOAVFQWZYUFQZ-UHFFFAOYSA-N- Molecular formula
- C13H21NO3
- Average molar mass
- 239.31 g/mol
- Monoisotopic mass
- 239.15214353
Names & identifiers
- Preferred name
- 3,4-Diethoxy-5-methoxybenzeneethanamine
- IUPAC
- 2-(3,4-diethoxy-5-methoxyphenyl)ethanamine
- English name
- 3,4-Diethoxy-5-methoxyphenethylamine
- Molecular formula
- C13H21NO3
- Molecular weight
- 239.31
Names & synonyms
63918-08-13,4-Diethoxy-5-methoxybenzeneethanamineDTXSID20213690RefChem:1065731DTXCID50136181AsymbescalineETHYLAMINE, 3,4-DIETHOXY-5-METHOXYPHENYL-3,4-Diethoxy-5-methoxyphenethylamineF5H6Z6VQ2ZBRN 60604813,4-Diethoxy-5-methoxyphenylethylaminebenzeneethanamine, 3,4-diethoxy-5-methoxy-
Show more names
ASB (PSYCHEDELIC)UNII-F5H6Z6VQ2Z2-(3,4-diethoxy-5-methoxyphenyl)ethan-1-amineCHEMBL124125SCHEMBL20970970DB-314771PHENETHYLAMINE, 3,4-DIETHOXY-5-METHOXY-Q4812058
Database identifiers
- CAS
63918-08-1- PubChem CID
- 45367
- DTXSID
DTXSID20213690- ChEMBL
CHEMBL124125- UNII
- F5H6Z6VQ2Z
- Nikkaji
- J93.011C
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 53.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 201
Physicochemical properties
- FDA UNII
- 5 H6Z6VQ2Z · F5H6Z6VQ2Z
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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