Basic information
- CAS
879172-64-2- Standard SMILES
COc1ccccc1CNCC(c1ccccc1)c1ccccc1- InChIKey
CCSNBFBXWPTYQY-UHFFFAOYSA-N- Molecular formula
- C22H23NO
- Average molar mass
- 317.4 g/mol
- Monoisotopic mass
- 317.17796436
Names & identifiers
- Preferred name
- N-[(2-methoxyphenyl)methyl]-2,2-diphenylethanamine
- IUPAC
- N-[(2-methoxyphenyl)methyl]-2,2-diphenylethanamine
Names & synonyms
MLS001176042N-[(2-methoxyphenyl)methyl]-2,2-diphenylethanamineCHEMBL1455930REGID_for_CID_9509532DTXSID701326274AKOS034638690879172-64-2SMR000596418Z86179860N-[(2-Methoxyphenyl)methyl]-2,2-diphenylethan-1-amine
Database identifiers
- CAS
879172-64-2- PubChem CID
- 9509532
- DTXSID
DTXSID701326274- ChEMBL
CHEMBL1455930
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 21.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 7
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 315
Experimental & physicochemical properties
Solubility33.6 [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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