Phenethylamine, N-ethyl-N-(3-hydroxypropyl)-4-methoxy-alpha-methyl-, 3,4,5-trimethoxybenzoate (ester)
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Basic information
- CAS
67293-48-5- Standard SMILES
CCN(CCCOC(=O)c1cc(OC)c(OC)c(OC)c1)C(C)Cc1ccc(OC)cc1- InChIKey
QTFNVBVRYJMVKS-UHFFFAOYSA-N- Molecular formula
- C25H35NO6
- Average molar mass
- 445.5 g/mol
- Monoisotopic mass
- 445.24643784
Names & identifiers
- Preferred name
- Phenethylamine, N-ethyl-N-(3-hydroxypropyl)-4-methoxy-alpha-methyl-, 3,4,5-trimethoxybenzoate (ester)
- IUPAC
- 3-[ethyl-[1-(4-methoxyphenyl)propan-2-yl]amino]propyl 3,4,5-trimethoxybenzoate
- English name
- 3,4,5-Trimethoxybenzoic acid 3-[ethyl(4-methoxy-α-methylphenethyl)amino]propyl ester
- Molecular formula
- C25H35NO6
- Molecular weight
- 445.55
Names & synonyms
BRN 279131267293-48-5Phenethylamine, N-ethyl-N-(3-hydroxypropyl)-4-methoxy-alpha-methyl-, 3,4,5-trimethoxybenzoate (ester)RefChem:368782DTXSID009865373-{Ethyl[1-(4-methoxyphenyl)propan-2-yl]amino}propyl 3,4,5-trimethoxybenzoate3,4,5-Trimethoxybenzoic acid 3-[ethyl(4-methoxy-α-methylphenethyl)amino]propyl esterBenzoic acid, 3,4,5-trimethoxy-, 3-[ethyl[2-(4-methoxyphenyl)-1-methylethyl]amino]propyl ester
Database identifiers
- CAS
67293-48-5- PubChem CID
- 437776
- DTXSID
DTXSID00986537- Nikkaji
- J79.284E
Properties
Computed structural propertiesFilling in
- XLogP
- 4.8
- Topological polar surface area
- 66.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 14
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 511
Related reactions
0 records
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Compound notes
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