Basic information
- CAS
80235-78-5- Standard SMILES
CNC(Cc1ccccc1)c1ccc(OC)c(OC)c1- InChIKey
GYJOCHRATGGAMO-UHFFFAOYSA-N- Molecular formula
- C17H21NO2
- Average molar mass
- 271.35 g/mol
- Monoisotopic mass
- 271.15722891
Names & identifiers
- Preferred name
- 1-(3,4-dimethoxyphenyl)-N-methyl-2-phenylethanamine
- IUPAC
- 1-(3,4-dimethoxyphenyl)-N-methyl-2-phenylethanamine
Names & synonyms
1-(3,4-dimethoxyphenyl)-N-methyl-2-phenylethanamineDTXSID8027680280235-78-5RefChem:224027DTXCID30228013SCHEMBL8060110NSC165852NSC-1658521-(3,4-Dimethoxyphenyl)-N-methyl-2-phenylethan-1-amine
Database identifiers
- CAS
80235-78-5- PubChem CID
- 201568
- DTXSID
DTXSID80276802
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 30.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 266
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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