3-Methoxy-N-methyl-N-(phenylmethyl)-5-isothiazolemethanamine
Basic information
- CAS
100241-93-8- Standard SMILES
COc1cc(CN(C)Cc2ccccc2)sn1- InChIKey
KUKZCARSGAEMKR-UHFFFAOYSA-N- Molecular formula
- C13H16N2OS
- Average molar mass
- 248.35 g/mol
- Monoisotopic mass
- 248.09833431
Names & identifiers
- Preferred name
- 3-Methoxy-N-methyl-N-(phenylmethyl)-5-isothiazolemethanamine
- IUPAC
- N-[(3-methoxy-1,2-thiazol-5-yl)methyl]-N-methyl-1-phenylmethanamine
Names & synonyms
100241-93-83-Methoxy-N-methyl-N-(phenylmethyl)-5-isothiazolemethanamineDTXSID701183947N-Benzyl-1-(3-methoxy-1,2-thiazol-5-yl)-N-methylmethanamine
Database identifiers
- CAS
100241-93-8- PubChem CID
- 85519161
- DTXSID
DTXSID701183947
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 53.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 221
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…