Basic information
- CAS
692729-81-0- Standard SMILES
c1ccc(-c2cc3c(c(-c4ccccn4)n2)CCCC3)cc1- InChIKey
QTGYIUKHNRWBNU-UHFFFAOYSA-N- Molecular formula
- C20H18N2
- Average molar mass
- 286.4 g/mol
- Monoisotopic mass
- 286.14699858
Names & identifiers
- Preferred name
- 3-Phenyl-1-(pyridin-2-YL)-5,6,7,8-tetrahydroisoquinoline
- IUPAC
- 3-phenyl-1-pyridin-2-yl-5,6,7,8-tetrahydroisoquinoline
- English name
- 3-PHENYL-1-(PYRIDIN-2-YL)-5,6,7,8-TETRAHYDROISOQUINOLINE
- Molecular formula
- C20H18N2
- Molecular weight
- 286.37
Names & synonyms
3-PHENYL-1-(PYRIDIN-2-YL)-5,6,7,8-TETRAHYDROISOQUINOLINE692729-81-03-phenyl-1-pyridin-2-yl-5,6,7,8-tetrahydroisoquinolineDTXSID10698972Isoquinoline, 5,6,7,8-tetrahydro-3-phenyl-1-(2-pyridinyl)-
Database identifiers
- CAS
692729-81-0- PubChem CID
- 53425762
- DTXSID
DTXSID10698972- Nikkaji
- J2.031.660H
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 25.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 350
Chemistry & industry
Suppliers3 total
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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