Basic information
- CAS
50666-12-1- Standard SMILES
CCCCN(CCCC)CC(O)c1c(C)c2ccccc2c2ccccc12- InChIKey
GHLMCLXOZMMLGT-UHFFFAOYSA-N- Molecular formula
- C25H33NO
- Average molar mass
- 363.5 g/mol
- Monoisotopic mass
- 363.25621468
Names & identifiers
- Preferred name
- 2-(Dibutylamino)-1-(10-methylphenanthren-9-yl)ethanol
- IUPAC
- 2-(dibutylamino)-1-(10-methylphenanthren-9-yl)ethanol
Names & synonyms
2-(dibutylamino)-1-(10-methylphenanthren-9-yl)ethanol50666-12-1DTXSID60313300RefChem:253684DTXCID60264424NSC268645CHEMBL3229379GHLMCLXOZMMLGT-UHFFFAOYSA-NNSC-2686452-(Dibutylamino)-1-(10-methyl-9-phenanthryl)ethanol #9-[1-Hydroxy-2-dibutylaminoethyl]-10-methylphenanthrene2-(Dibutylamino)-1-(10-methylphenanthren-9-yl)ethan-1-ol
Database identifiers
- CAS
50666-12-1- PubChem CID
- 320545
- DTXSID
DTXSID60313300- ChEMBL
CHEMBL3229379
Properties
Computed structural properties
- XLogP
- 6.5
- Topological polar surface area
- 23.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 9
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 417
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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