(R)-2-(Benzyloxy)-5,6,7,8-tetrahydroquinolin-5-amine
Basic information
- CAS
399030-77-4- Standard SMILES
N[C@@H]1CCCc2nc(OCc3ccccc3)ccc21- InChIKey
KYPGUAIHLBHSMY-CQSZACIVSA-N- Molecular formula
- C16H18N2O
- Average molar mass
- 254.33 g/mol
- Monoisotopic mass
- 254.1419132
Names & identifiers
- Preferred name
- (R)-2-(Benzyloxy)-5,6,7,8-tetrahydroquinolin-5-amine
- IUPAC
- (5R)-2-phenylmethoxy-5,6,7,8-tetrahydroquinolin-5-amine
- English name
- (R)-2-(benzyloxy)-5,6,7,8-tetrahydroquinolin-5-amine
- Molecular formula
- C16H18N2O
- Molecular weight
- 254.33
Names & synonyms
399030-77-4(R)-2-(BENZYLOXY)-5,6,7,8-TETRAHYDROQUINOLIN-5-AMINESCHEMBL4274496(5R)-2-phenylmethoxy-5,6,7,8-tetrahydroquinolin-5-amineDTXSID00431496(5R)-2-(Benzyloxy)-5,6,7,8-tetrahydroquinolin-5-amine5-Quinolinamine, 5,6,7,8-tetrahydro-2-(phenylmethoxy)-, (5R)-
Database identifiers
- CAS
399030-77-4- PubChem CID
- 9834879
- DTXSID
DTXSID00431496
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 48.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 278
Physicochemical properties
- Boiling point
- 404.3 · 404.3±45.0 °C(Predicted)
- Density
- 1.146 · 1.146±0.06 g/cm3(Predicted)
- pka
- 8.07 · 8.07±0.20(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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