Phenethylamine, N-ethyl-N-(4-hydroxyhexyl)-, 3,4,5-trimethoxybenzoate (ester)
Basic information
- CAS
67293-40-7- Standard SMILES
CCC(CCCN(CC)CCc1ccccc1)OC(=O)c1cc(OC)c(OC)c(OC)c1- InChIKey
XCMDZEPCYMTNGM-UHFFFAOYSA-N- Molecular formula
- C26H37NO5
- Average molar mass
- 443.6 g/mol
- Monoisotopic mass
- 443.26717328
Names & identifiers
- Preferred name
- Phenethylamine, N-ethyl-N-(4-hydroxyhexyl)-, 3,4,5-trimethoxybenzoate (ester)
- IUPAC
- 6-[ethyl(2-phenylethyl)amino]hexan-3-yl 3,4,5-trimethoxybenzoate
- English name
- 3,4,5-Trimethoxybenzoic acid 4-[ethyl(phenethyl)amino]-1-ethylbutyl ester
- Molecular formula
- C26H37NO5
- Molecular weight
- 443.58
Names & synonyms
67293-40-7BRN 2681270N-Ethyl-N-(4-hydroxyhexyl)phenethylamine 3,4,5-trimethoxybenzoate (ester)Phenethylamine, N-ethyl-N-(4-hydroxyhexyl)-, 3,4,5-trimethoxybenzoate (ester)RefChem:368802DTXSID709865296-[ethyl(2-phenylethyl)amino]hexan-3-yl 3,4,5-trimethoxybenzoate3,4,5-Trimethoxybenzoic acid 4-[ethyl(phenethyl)amino]-1-ethylbutyl esterBenzoic acid, 3,4,5-trimethoxy-, 1-ethyl-4-[ethyl(2-phenylethyl)amino]butyl ester
Database identifiers
- CAS
67293-40-7- PubChem CID
- 43284
- DTXSID
DTXSID70986529- Nikkaji
- J79.277B
Properties
Computed structural properties
- XLogP
- 5.7
- Topological polar surface area
- 57.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 15
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 496
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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