3-(3,4-Dihydroisoquinolin-2(1H)-yl)-1,1-diphenylbutan-1-ol
Basic information
- CAS
4082-44-4- Standard SMILES
CC(CC(O)(c1ccccc1)c1ccccc1)N1CCc2ccccc2C1- InChIKey
YUPPHAIGLYVSSI-UHFFFAOYSA-N- Molecular formula
- C25H27NO
- Average molar mass
- 357.5 g/mol
- Monoisotopic mass
- 357.20926449
Names & identifiers
- Preferred name
- 3-(3,4-Dihydroisoquinolin-2(1H)-yl)-1,1-diphenylbutan-1-ol
- IUPAC
- 3-(3,4-dihydro-1H-isoquinolin-2-yl)-1,1-diphenylbutan-1-ol
Names & synonyms
4082-44-4DTXSID209612403-(3,4-dihydroisoquinolin-2(1H)-yl)-1,1-diphenylbutan-1-olRefChem:1066644DTXCID3013890723,4-Dihydro-alpha,alpha-diphenyl-gamma-methyl-2(1H)-isoquinolinepropanolBRN 14387462(1H)-ISOQUINOLINEPROPANOL, 3,4-DIHYDRO-alpha,alpha-DIPHENYL-gamma-METHYL-
Database identifiers
- CAS
4082-44-4- PubChem CID
- 20016
- DTXSID
DTXSID20961240- Nikkaji
- J86.400E
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 23.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 433
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Compound notes
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