alpha-(3,4-Dimethoxyphenyl)benzeneethanamine
Basic information
- Standard SMILES
COc1ccc(C(N)Cc2ccccc2)cc1OC- InChIKey
WAKRXOCPJKLWAS-UHFFFAOYSA-N- Molecular formula
- C16H19NO2
- Average molar mass
- 257.33 g/mol
- Monoisotopic mass
- 257.14157885
Names & identifiers
- Preferred name
- alpha-(3,4-Dimethoxyphenyl)benzeneethanamine
- IUPAC
- 1-(3,4-dimethoxyphenyl)-2-phenylethanamine
Names & synonyms
Oprea1_775186SCHEMBL7037469WAKRXOCPJKLWAS-UHFFFAOYSA-NAKOS000169074alpha-(3,4-dimethoxyphenyl)benzeneethanaminealpha-(3.4-dimethoxyphenyl)benzeneethanaminealpha-(3,4-dimethoxyphenyl) benzeneethanaminealpha-(3,4-dimethoxyphenyl)-benzenee-thanamine
Database identifiers
- PubChem CID
- 411116
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 44.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 253
Related reactions
4 records
Compound notes
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