Basic information
- Standard SMILES
O=C(CNCC1(O)CCCCC1)N1CCc2ccccc2C1C1CCCCC1- InChIKey
ITFCLOBMTXLVCQ-UHFFFAOYSA-N- Molecular formula
- C24H36N2O2
- Average molar mass
- 384.6 g/mol
Names & identifiers
- Preferred name
- 1-(1-cyclohexyl-3,4-dihydro-1H-isoquinolin-2-yl)-2-[(1-hydroxycyclohexyl)methylamino]ethanone
- IUPAC
- 1-(1-cyclohexyl-3,4-dihydro-1H-isoquinolin-2-yl)-2-[(1-hydroxycyclohexyl)methylamino]ethanone
Names & synonyms
CHEMBL3356247SCHEMBL3623861BDBM50037209
Database identifiers
- PubChem CID
- 59396249
- ChEMBL
CHEMBL3356247
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 511
Related reactions
1 records
Compound notes
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