Basic information
- CAS
102586-25-4- Standard SMILES
c1ccc(CC(Cc2ccccc2)NC2=NCCO2)cc1- InChIKey
MJSMUYLVCJSNKM-UHFFFAOYSA-N- Molecular formula
- C18H20N2O
- Average molar mass
- 280.4 g/mol
- Monoisotopic mass
- 280.15756327
Names & identifiers
- Preferred name
- Phenethylamine, alpha-benzyl-N-(2-oxazolin-2-yl)-
- IUPAC
- N-(1,3-diphenylpropan-2-yl)-4,5-dihydro-1,3-oxazol-2-amine
Names & synonyms
Phenethylamine, alpha-benzyl-N-(2-oxazolin-2-yl)-102586-25-4RefChem:10947122-(1,3-Diphenyl-2-propylamino)-2-oxazolineNSC162247N-(1,3-diphenylpropan-2-yl)-4,5-dihydro-1,3-oxazol-2-amineDTXSID60907900NSC-162247
Database identifiers
- CAS
102586-25-4- PubChem CID
- 294227
- DTXSID
DTXSID60907900- Nikkaji
- J71.117I
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 33.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 6
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 310
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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