Benzenamide, 4-(3,4-dihydro-6,7-dimethoxy-1-methyl-2(1H)-isoquinolinyl)-, (S)-
Basic information
- CAS
65492-86-6- Standard SMILES
COc1cc2c(cc1OC)[C@H](C)N(c1ccc(N)cc1)CC2- InChIKey
NXBGECSRPXMFSH-LBPRGKRZSA-N- Molecular formula
- C18H22N2O2
- Average molar mass
- 298.4 g/mol
- Monoisotopic mass
- 298.16812795
Names & identifiers
- Preferred name
- Benzenamide, 4-(3,4-dihydro-6,7-dimethoxy-1-methyl-2(1H)-isoquinolinyl)-, (S)-
- IUPAC
- 4-[(1S)-6,7-dimethoxy-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]aniline
- English name
- 4-[(1S)-3,4-Dihydro-6,7-dimethoxy-1-methylisoquinolin-2(1H)-yl]benzenamine
- Molecular formula
- C18H22N2O2
- Molecular weight
- 298.38
Names & synonyms
65492-86-6BENZENAMIDE, 4-(3,4-DIHYDRO-6,7-DIMETHOXY-1-METHYL-2(1H)-ISOQUINOLINYL)-, (S)-RefChem:1078156p-AminophenylsalsolidineN-(4-Aminophenyl)salsolidineBRN 1492662(S)-4-(3,4-Dihydro-6,7-dimethoxy-1-methyl-2(1H)-isoquinolinyl)benzenamideDTXSID409840924-(6,7-Dimethoxy-1-methyl-3,4-dihydroisoquinolin-2(1H)-yl)aniline4-[(1S)-6,7-dimethoxy-1-methyl-3,4-dihydroisoquinolin-2(1H)-yl]aniline4-[(1S)-3,4-Dihydro-6,7-dimethoxy-1-methylisoquinolin-2(1H)-yl]benzenamineBenzenamine, 4-(3,4-dihydro-6,7-dimethoxy-1-methyl-2(1H)-isoquinolinyl)-, (S)- (9CI)
Database identifiers
- CAS
65492-86-6- PubChem CID
- 47647
- DTXSID
DTXSID40984092- Nikkaji
- J73.204D
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 47.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 357
Physicochemical properties
- EWG's Food Scores
- 1 · 1
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Compound notes
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