Basic information
- Standard SMILES
CC1(C)OCc2cc([C@@H](O)CNCc3ccccc3)ccc2O1- InChIKey
WHCHQYASVUJJIQ-KRWDZBQOSA-N- Molecular formula
- C19H23NO3
- Average molar mass
- 313.4 g/mol
Names & identifiers
- Preferred name
- (1R)-2-(benzylamino)-1-(2,2-dimethyl-4H-1,3-benzodioxin-6-yl)ethanol
- IUPAC
- (1R)-2-(benzylamino)-1-(2,2-dimethyl-4H-1,3-benzodioxin-6-yl)ethanol
Names & synonyms
SCHEMBL4801268WHCHQYASVUJJIQ-KRWDZBQOSA-N(1R)-2-(benzylamino)-1-(2,2-dimethyl-4H-1,3-benzodioxin-6-yl)ethanol
Database identifiers
- PubChem CID
- 69196697
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 50.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 368
Related reactions
13 records
Compound notes
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