N-Benzyl salsolidine

HCID 29856

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Basic information

CAS: 19902-16-0
Standard SMILES: COc1cc2c(cc1OC)C(C)N(Cc1ccccc1)CC2
InChIKey: QMFRUXSSVRREFN-UHFFFAOYSA-N
Molecular formula: C19H23NO2
Average molar mass: 297.4 g/mol
Monoisotopic mass: 297.17287898

Overview

structure

Names & identifiers

Preferred name: N-Benzyl salsolidine
IUPAC: 2-benzyl-6,7-dimethoxy-1-methyl-3,4-dihydro-1H-isoquinoline
English name: (1S)-1,2,3,4-Tetrahydro-6,7-dimethoxy-1-methyl-2-(phenylmethyl)isoquinoline
Molecular formula: C19H23NO2
Molecular weight: 297.39

Names & synonyms

N-Benzyl salsolidine19902-16-01-Methyl-2-benzyl-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolineRefChem:162926BenzylsalsolidineN-BenzylsalsolidineSalsolidine, 2-benzyl-BRN 1543126ISOQUINOLINE, 1,2,3,4-TETRAHYDRO-6,7-DIMETHOXY-1-METHYL-2-(PHENYLMETHYL)-, (S)-SCHEMBL28742794DTXSID009417822-Benzyl-6,7-dimethoxy-1-methyl-1,2,3,4-tetrahydroisoquinoline

Show more names

Benzylsalsolide2-Benzylsalsolidine(1S)-6,7-Dimethoxy-1-methyl-2-phenylmethyl-1,2,3,4-tetrahydroisoquinoline(1S)-1,2,3,4-Tetrahydro-6,7-dimethoxy-1-methyl-2-(phenylmethyl)isoquinolineIsoquinoline, 1,2,3,4-tetrahydro-6,7-dimethoxy-1-methyl-2-(phenylmethyl)-, (1S)-

Database identifiers

CAS: 19902-16-0
PubChem CID: 29856
DTXSID: DTXSID00941782

Properties

Computed structural properties

XLogP: 3.6
Topological polar surface area: 21.7 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 4
Heavy atoms: 22
Formal charge: 0
Complexity: 342

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