Basic information
- Standard SMILES
Br.COc1ccc(CCNCCc2ccccc2)cc1OC- InChIKey
BKUJUTALFVTWEU-UHFFFAOYSA-N- Molecular formula
- C18H24BrNO2
- Average molar mass
- 366.3 g/mol
- Monoisotopic mass
- 365.09904111
Names & identifiers
- Preferred name
- 2-(3,4-Dimethoxyphenyl)-N-(2-phenylethyl)ethan-1-amine--hydrogen bromide (1/1)
- IUPAC
- N-[2-(3,4-dimethoxyphenyl)ethyl]-2-phenylethanamine;hydrobromide
Names & synonyms
63925-46-2DTXSID709811552-(3,4-Dimethoxyphenyl)-N-(2-phenylethyl)ethan-1-amine--hydrogen bromide (1/1)RefChem:1061017DTXCID201408427Veratrole, 4-(2-(phenethylamino)ethyl)-, hydrobromidePhenethylamine, 3,4-dimethoxy-N-phenethyl-, hydrobromideSCHEMBL11515734BKUJUTALFVTWEU-UHFFFAOYSA-NN-phenethyl-3,4-dimethoxyphenethylamine hydrobromide
Database identifiers
- CAS
63925-46-2- PubChem CID
- 3048686
- DTXSID
DTXSID70981155
Properties
Computed structural properties
- Topological polar surface area
- 30.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 8
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 266
Related reactions
2 records
Linked notes
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