Basic information
- CAS
54219-83-9- Standard SMILES
C=CCc1cc(CNCCCOCC)c(O)c(OC)c1- InChIKey
FBKZHZRGZQWTHE-UHFFFAOYSA-N- Molecular formula
- C16H25NO3
- Average molar mass
- 279.37 g/mol
- Monoisotopic mass
- 279.18344366
Names & identifiers
- Preferred name
- Phenol, 2-(((3-ethoxypropyl)amino)methyl)-6-methoxy-4-(2-propenyl)-
- IUPAC
- 2-[(3-ethoxypropylamino)methyl]-6-methoxy-4-prop-2-enylphenol
Names & synonyms
54219-83-9BRN 27493882-(((3-Ethoxypropyl)amino)methyl)-6-methoxy-4-(2-propenyl)phenolNSC 243884Phenol, 2-(((3-ethoxypropyl)amino)methyl)-6-methoxy-4-(2-propenyl)-RefChem:368939NSC243884DTXSID30969191NSC-2438842-{[(3-ETHOXYPROPYL)AMINO]METHYL}-6-METHOXY-4-(PROP-2-EN-1-YL)PHENOL
Database identifiers
- CAS
54219-83-9- PubChem CID
- 99580
- DTXSID
DTXSID30969191
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 50.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 10
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 260
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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