Basic information
- Standard SMILES
CC(C)(C)c1cc(I)c2c(c1)CNC1(CCCCC1)O2- InChIKey
OEVPCYUKEFEDCY-UHFFFAOYSA-N- Molecular formula
- C17H24INO
- Average molar mass
- 385.28 g/mol
- Monoisotopic mass
- 385.09026
Names & identifiers
- Preferred name
- 3,4-dihydro-6-(1,1-dimethylethyl)-8-iodospiro[2H-1,3-benzoxazine-2,1'-cyclohexane]
- IUPAC
- 6-tert-butyl-8-iodospiro[3,4-dihydro-1,3-benzoxazine-2,1'-cyclohexane]
Names & synonyms
CHEMBL152241SCHEMBL11600243OEVPCYUKEFEDCY-UHFFFAOYSA-N3,4-dihydro-6-(1,1-dimethylethyl)-8-iodospiro[2H-1,3-benzoxazine-2,1'-cyclohexane]
Database identifiers
- PubChem CID
- 12857892
- ChEMBL
CHEMBL152241
Properties
Computed structural properties
- XLogP
- 5.1
- Topological polar surface area
- 21.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 345
Related reactions
3 records
Compound notes
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