4-(2-Benzothiazolyloxy)benzeneethanamine
Basic information
- CAS
842103-46-2- Standard SMILES
NCCc1ccc(Oc2nc3ccccc3s2)cc1- InChIKey
IUBPGECACAIWDP-UHFFFAOYSA-N- Molecular formula
- C15H14N2OS
- Average molar mass
- 270.4 g/mol
- Monoisotopic mass
- 270.08268425
Names & identifiers
- Preferred name
- 4-(2-Benzothiazolyloxy)benzeneethanamine
- IUPAC
- 2-[4-(1,3-benzothiazol-2-yloxy)phenyl]ethanamine
Names & synonyms
SCHEMBL4692982DTXSID001277103AKOS0109682294-(2-Benzothiazolyloxy)benzeneethanamine2-{4-[(1,3-Benzothiazol-2-yl)oxy]phenyl}ethan-1-amine842103-46-2
Database identifiers
- CAS
842103-46-2- PubChem CID
- 59989005
- DTXSID
DTXSID001277103
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 76.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 281
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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