Basic information
- CAS
56071-35-3- Standard SMILES
Cc1ccc(CC[NH2+]C2CCCOc3ccc(C)cc32)cc1.[Cl-]- InChIKey
XYRZFCAFADZBLC-UHFFFAOYSA-N- Molecular formula
- C20H26ClNO
- Average molar mass
- 331.9 g/mol
- Monoisotopic mass
- 331.1702921
Names & identifiers
- Preferred name
- 1-Benzoxepin-5-amine, 2,3,4,5-tetrahydro-7-methyl-N-(p-methylphenethyl)-, hydrochloride
- IUPAC
- 2-(4-methylphenyl)ethyl-(7-methyl-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)azanium chloride
Names & synonyms
56071-35-31-Benzoxepin-5-amine, 2,3,4,5-tetrahydro-7-methyl-N-(p-methylphenethyl)-, hydrochloride7-Methyl-N-(p-methylphenethyl)-2,3,4,5-tetrahydro-1-benzoxepin-5-amine hydrochloride5-(alpha-Methyl-beta-phenethylamino)-7-methyl-2,3,4,5-tetrahydro-1-benzoxepine hydrochlorideRefChem:227840
Database identifiers
- CAS
56071-35-3- PubChem CID
- 41733
Properties
Computed structural properties
- Topological polar surface area
- 25.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 324
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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