Basic information
- CAS
54219-81-7- Standard SMILES
C=CCc1cc(CNCCCO)c(O)c(OC)c1- InChIKey
FSSACKZVCMSZBR-UHFFFAOYSA-N- Molecular formula
- C14H21NO3
- Average molar mass
- 251.32 g/mol
- Monoisotopic mass
- 251.15214353
Names & identifiers
- Preferred name
- Phenol, 2-(((3-hydroxypropyl)amino)methyl)-6-methoxy-4-(2-propenyl)-
- IUPAC
- 2-[(3-hydroxypropylamino)methyl]-6-methoxy-4-prop-2-enylphenol
Names & synonyms
BRN 274261154219-81-7Phenol, 2-(((3-hydroxypropyl)amino)methyl)-6-methoxy-4-(2-propenyl)-DTXSID402025662-(((3-Hydroxypropyl)amino)methyl)-6-methoxy-4-(2-propenyl)phenolNSC 243878RefChem:368940DTXCID70125057NSC243878NSC-2438782-{[(3-hydroxypropyl)amino]methyl}-6-methoxy-4-(prop-2-en-1-yl)phenol
Database identifiers
- CAS
54219-81-7- PubChem CID
- 99577
- DTXSID
DTXSID40202566
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 61.7 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 8
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 235
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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