4-(8-Methoxyisoquinolin-5-yl)aniline
Basic information
- CAS
919362-95-1- Standard SMILES
COc1ccc(-c2ccc(N)cc2)c2ccncc12- InChIKey
TYUKRPNGGWBXTH-UHFFFAOYSA-N- Molecular formula
- C16H14N2O
- Average molar mass
- 250.29 g/mol
- Monoisotopic mass
- 250.11061307
Names & identifiers
- Preferred name
- 4-(8-Methoxyisoquinolin-5-yl)aniline
- IUPAC
- 4-(8-methoxyisoquinolin-5-yl)aniline
Names & synonyms
4-(8-Methoxyisoquinolin-5-yl)aniline919362-95-14-(8-methoxy-5-isoquinolinyl)BenzenamineSCHEMBL2382250DTXSID90730364DB-331736
Database identifiers
- CAS
919362-95-1- PubChem CID
- 58828861
- DTXSID
DTXSID90730364
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 48.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 288
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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