Basic information
- CAS
60916-61-2- Standard SMILES
Cc1ccc(C(O)(CNCc2ccccc2)c2ccccc2)cc1- InChIKey
YLQPEUXBTQONJV-UHFFFAOYSA-N- Molecular formula
- C22H23NO
- Average molar mass
- 317.4 g/mol
- Monoisotopic mass
- 317.17796436
Names & identifiers
- Preferred name
- 2-(Benzylamino)-1-(4-methylphenyl)-1-phenylethanol
- IUPAC
- 2-(benzylamino)-1-(4-methylphenyl)-1-phenylethanol
Names & synonyms
2-(benzylamino)-1-(4-methylphenyl)-1-phenylethanol60916-61-2Oprea1_046575MLS001163980CHEMBL1500575DTXSID801322156HMS2873M21STL298210AKOS022129105SMR0005393222-(benzylamino)-1-phenyl-1-(p-tolyl)ethanol2-(Benzylamino)-1-(4-methylphenyl)-1-phenylethan-1-ol
Database identifiers
- CAS
60916-61-2- PubChem CID
- 409246
- DTXSID
DTXSID801322156- ChEMBL
CHEMBL1500575
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 32.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 6
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 351
Experimental & physicochemical properties
Solubility26.2 [ug/mL] (The mean of the results at pH 7.4)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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