2-[Benzyl(methyl)amino]-1-(4-methoxyphenyl)propan-1-one
Basic information
- CAS
101718-50-7- Standard SMILES
COc1ccc(C(=O)C(C)N(C)Cc2ccccc2)cc1- InChIKey
ZHNPESKZBDMMKG-UHFFFAOYSA-N- Molecular formula
- C18H21NO2
- Average molar mass
- 283.4 g/mol
- Monoisotopic mass
- 283.15722891
Names & identifiers
- Preferred name
- 2-[Benzyl(methyl)amino]-1-(4-methoxyphenyl)propan-1-one
- IUPAC
- 2-[benzyl(methyl)amino]-1-(4-methoxyphenyl)propan-1-one
Names & synonyms
101718-50-72-[Benzyl(methyl)amino]-1-(4-methoxyphenyl)propan-1-one1-Propanone, 1-(4-methoxyphenyl)-2-[methyl(phenylmethyl)amino]-DTXSID30734321AKOS011330448
Database identifiers
- CAS
101718-50-7- PubChem CID
- 62053292
- DTXSID
DTXSID30734321- Nikkaji
- J3.580.953H
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 317
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Compound notes
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