Basic information
- CAS
1213437-29-6- Standard SMILES
CCC[C@H](N)c1cc(I)c(O)c(OC)c1- InChIKey
QAEUCRNVTSHVAS-VIFPVBQESA-N- Molecular formula
- C11H16INO2
- Average molar mass
- 321.15 g/mol
- Monoisotopic mass
- 321.02258
Names & identifiers
- Preferred name
- CID 165349727
- IUPAC
- 4-[(1S)-1-aminobutyl]-2-iodo-6-methoxyphenol
Names & synonyms
4-[(1S)-1-Aminobutyl]-2-iodo-6-methoxyphenolDTXSID5012566271213437-29-6
Database identifiers
- CAS
1213437-29-6- PubChem CID
- 165349727
- DTXSID
DTXSID501256627
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 55.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 191
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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