Basic information
- CAS
1159011-00-3- Standard SMILES
CC1(C)CNC(c2ccncc2)c2ccccc21- InChIKey
NLIIBLSUNBLDDQ-UHFFFAOYSA-N- Molecular formula
- C16H18N2
- Average molar mass
- 238.33 g/mol
- Monoisotopic mass
- 238.14699858
Names & identifiers
- Preferred name
- 1,2,3,4-Tetrahydro-4,4-dimethyl-1-(4-pyridinyl)isoquinoline
- IUPAC
- 4,4-dimethyl-1-pyridin-4-yl-2,3-dihydro-1H-isoquinoline
Names & synonyms
SCHEMBL2258222DTXSID5011889411,2,3,4-Tetrahydro-4,4-dimethyl-1-(4-pyridinyl)isoquinoline4,4-Dimethyl-1-(pyridin-4-yl)-1,2,3,4-tetrahydroisoquinoline1159011-00-3
Database identifiers
- CAS
1159011-00-3- PubChem CID
- 67337361
- DTXSID
DTXSID501188941
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 24.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 281
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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