Basic information
- CAS
41958-62-7- Standard SMILES
CC(=O)Nc1ccc2c(c1)C(c1ccccc1)[C@H](C)N(C)C2- InChIKey
UJPROHUFLRCNBI-YTJLLHSVSA-N- Molecular formula
- C19H22N2O
- Average molar mass
- 294.4 g/mol
- Monoisotopic mass
- 294.17321333
Names & identifiers
- Preferred name
- N-(2,3-Dimethyl-4-phenyl-1,2,3,4-tetrahydroisoquinolin-6-yl)ethanimidic acid
- IUPAC
- N-[(3S)-2,3-dimethyl-4-phenyl-3,4-dihydro-1H-isoquinolin-6-yl]acetamide
Names & synonyms
DTXSID2096211141958-62-7N-(2,3-Dimethyl-4-phenyl-1,2,3,4-tetrahydroisoquinolin-6-yl)ethanimidic acidRefChem:1090857DTXCID201389924trans-6-Acetamido-2,3-dimethyl-4-phenyl-1,2,3,4-tetrahydroisoquinolineBRN 0425810Isoquinoline, 6-acetamido-2,3-dimethyl-4-phenyl-1,2,3,4-tetrahydro-, (E)-N-(trans-1,2,3,4-Tetrahydro-2,3-dimethyl-4-phenyl-6-isoquinolinyl)acetamideAcetamide, N-(trans-1,2,3,4-tetrahydro-2,3-dimethyl-4-phenyl-6-isoquinolinyl)-ISOQUINOLINE, 1,2,3,4-TETRAHYDRO-6-ACETAMIDO-2,3-DIMETHYL-4-PHENYL-, (E)-N-[(3S)-2,3-Dimethyl-4-phenyl-1,2,3,4-tetrahydroisoquinolin-6-yl]ethanimidic acid
Database identifiers
- CAS
41958-62-7- PubChem CID
- 39062
- DTXSID
DTXSID20962111
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 32.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 391
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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