Basic information
- CAS
5077-05-4- Standard SMILES
COc1ccc(CNCc2ccccc2)cc1OC.Cl- InChIKey
BYDJFUXDXRJOPM-UHFFFAOYSA-N- Molecular formula
- C16H20ClNO2
- Average molar mass
- 293.79 g/mol
- Monoisotopic mass
- 293.1182566
Names & identifiers
- Preferred name
- N-[(3,4-Dimethoxyphenyl)methyl]-1-phenylmethanamine;hydrochloride
- IUPAC
- N-[(3,4-dimethoxyphenyl)methyl]-1-phenylmethanamine;hydrochloride
Names & synonyms
5077-05-4N-[(3,4-Dimethoxyphenyl)methyl]-1-phenylmethanamine;hydrochlorideN-Benzyl-1-(3,4-dimethoxyphenyl)methanamine--hydrogen chloride (1/1)DTXSID50386068N-benzyl-1-(3,4-dimethoxyphenyl)methanamine HydrochlorideHMS5088D12AKOS030510750SR-01000467058SR-01000467058-1
Database identifiers
- CAS
5077-05-4- PubChem CID
- 2852151
- DTXSID
DTXSID50386068
Properties
Computed structural properties
- Topological polar surface area
- 30.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 241
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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