3-{[(Tricyclo[3.3.1.1~3,7~]decan-1-yl)amino]methyl}[1,1'-biphenyl]-4-ol
Basic information
- CAS
57553-16-9- Standard SMILES
Oc1ccc(-c2ccccc2)cc1CNC12CC3CC(CC(C3)C1)C2- InChIKey
OUMRNKSTLMHUAQ-UHFFFAOYSA-N- Molecular formula
- C23H27NO
- Average molar mass
- 333.5 g/mol
- Monoisotopic mass
- 333.20926449
Names & identifiers
- Preferred name
- 3-{[(Tricyclo[3.3.1.1~3,7~]decan-1-yl)amino]methyl}[1,1'-biphenyl]-4-ol
- IUPAC
- 2-[(1-adamantylamino)methyl]-4-phenylphenol
Names & synonyms
57553-16-93-[(1-adamantylamino)methyl]-4-biphenylol3-{[(Tricyclo[3.3.1.1~3,7~]decan-1-yl)amino]methyl}[1,1'-biphenyl]-4-olNSC172960CHEMBL3273869DTXSID90305970NSC-172960DS-0037312-[(1-adamantylamino)methyl]-4-phenyl-phenol3-{[(Adamantan-1-yl)amino]methyl}[1,1'-biphenyl]-4-ol
Database identifiers
- CAS
57553-16-9- PubChem CID
- 299676
- DTXSID
DTXSID90305970- ChEMBL
CHEMBL3273869
Properties
Computed structural properties
- XLogP
- 5.2
- Topological polar surface area
- 32.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 427
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Compound notes
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