Isoquinoline, 1,2,3,4-tetrahydro-5,6-dimethoxy-

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Basic information

CAS: 52759-09-8
Standard SMILES: COc1ccc2c(c1OC)CCNC2
InChIKey: KRSWPODJYNXIJP-UHFFFAOYSA-N
Molecular formula: C11H15NO2
Average molar mass: 193.24 g/mol
Monoisotopic mass: 193.11027872

Names & identifiers

Preferred name: Isoquinoline, 1,2,3,4-tetrahydro-5,6-dimethoxy-
IUPAC: 5,6-dimethoxy-1,2,3,4-tetrahydroisoquinoline
English name: 1,2,3,4-tetrahydro-5,6-diMethoxy-Isoquinoline
Molecular formula: C11H15NO2
Molecular weight: 193.24

Names & synonyms

52759-09-81,2,3,4-tetrahydro-5,6-dimethoxyisoquinolineIsoquinoline, 1,2,3,4-tetrahydro-5,6-dimethoxy-SCHEMBL829320SCHEMBL9404907KRSWPODJYNXIJP-UHFFFAOYSA-NDTXSID0012930725,6-dimethoxytetrahydroisoquinolineAKOS011659615DB-345464CS-0302480EN300-149612

Show more names

1,2,3,4-tetrahydro-5,6-diMethoxy-Isoquinoline

Database identifiers

CAS: 52759-09-8
PubChem CID: 45108
DTXSID: DTXSID001293072

Properties

Computed structural properties

XLogP: 1.3
Topological polar surface area: 30.5 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 2
Heavy atoms: 14
Formal charge: 0
Complexity: 186

Related reactions

2 records

New reaction record

HRID 137039As reactantTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 1451659As reactantuspto-grants-1997_02

Compound notes

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