3-[Benzyl(methyl)amino]-3-(4-methoxyphenyl)propane-1,2-diol
Basic information
- CAS
201852-38-2- Standard SMILES
COc1ccc(C(C(O)CO)N(C)Cc2ccccc2)cc1- InChIKey
IXSLNQIIFAYMNQ-UHFFFAOYSA-N- Molecular formula
- C18H23NO3
- Average molar mass
- 301.4 g/mol
- Monoisotopic mass
- 301.1677936
Names & identifiers
- Preferred name
- 3-[Benzyl(methyl)amino]-3-(4-methoxyphenyl)propane-1,2-diol
- IUPAC
- 3-[benzyl(methyl)amino]-3-(4-methoxyphenyl)propane-1,2-diol
Names & synonyms
201852-38-23-[Benzyl(methyl)amino]-3-(4-methoxyphenyl)propane-1,2-diolSCHEMBL13986008DTXSID60609290
Database identifiers
- CAS
201852-38-2- PubChem CID
- 20656182
- DTXSID
DTXSID60609290
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 52.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 299
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Compound notes
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