Basic information
- CAS
13174-08-8- Standard SMILES
COc1ccc(CC[NH2+]C(C)Cc2ccccc2)cc1OC.[Cl-]- InChIKey
CXXSNFVGSYSCKQ-UHFFFAOYSA-N- Molecular formula
- C19H26ClNO2
- Average molar mass
- 335.9 g/mol
- Monoisotopic mass
- 335.1652068
Names & identifiers
- Preferred name
- Benzeneethanamine, 3,4-dimethoxy-N-(1-methyl-2-phenylethyl)-, hydrochloride (1:1)
- IUPAC
- 2-(3,4-dimethoxyphenyl)ethyl-(1-phenylpropan-2-yl)azanium chloride
Names & synonyms
13174-08-8RefChem:1078423Benzeneethanamine, 3,4-dimethoxy-N-(1-methyl-2-phenylethyl)-, hydrochloride (1:1)Benzenethanamine, 3,4-dimethoxy-N-(1-methyl-2-phenylethyl)-, hydrochloride3,4-Dimethoxy-alpha'-methyldiphenethylamine hydrochlorideF 1692DIPHENETHYLAMINE, 3,4-DIMETHOXY-alpha'-METHYL-, HYDROCHLORIDE2-(3,4-dimethoxyphenyl)ethyl-(1-phenylpropan-2-yl)azanium;chloride
Database identifiers
- CAS
13174-08-8- PubChem CID
- 25754
Properties
Computed structural properties
- Topological polar surface area
- 35.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 8
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 291
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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