Basic information
- CAS
65210-29-9- Standard SMILES
CC1(CC[NH2+]CCc2ccccc2)Oc2ccccc2O1.[Cl-]- InChIKey
QXQPOOJXBHUMRI-UHFFFAOYSA-N- Molecular formula
- C18H22ClNO2
- Average molar mass
- 319.8 g/mol
- Monoisotopic mass
- 319.1339066
Names & identifiers
- Preferred name
- 1,3-Benzodioxole, 2-methyl-2-(2-(phenethylamino)ethyl)-, hydrochloride
- IUPAC
- 2-(2-methyl-1,3-benzodioxol-2-yl)ethyl-(2-phenylethyl)azanium chloride
Names & synonyms
1,3-BENZODIOXOLE, 2-METHYL-2-(2-(PHENETHYLAMINO)ETHYL)-, HYDROCHLORIDE65210-29-9RefChem:10526962-Methyl-2-(2-(phenethylamino)ethyl)-1,3-benzodioxole hydrochloride
Database identifiers
- CAS
65210-29-9- PubChem CID
- 47535
Properties
Computed structural properties
- Topological polar surface area
- 35.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 300
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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