6,7-Diethoxy-1,2,3,4-tetrahydroisoquinoline

HCID 45105
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Basic information

Standard SMILES
CCOc1cc2c(cc1OCC)CNCC2
InChIKey
SFFCFYBFMSQXRO-UHFFFAOYSA-N
Molecular formula
C13H19NO2
Average molar mass
221.29 g/mol

Names & identifiers

Preferred name
6,7-Diethoxy-1,2,3,4-tetrahydroisoquinoline
IUPAC
6,7-diethoxy-1,2,3,4-tetrahydroisoquinoline

Names & synonyms

6,7-diethoxy-1,2,3,4-tetrahydroisoquinoline52759-05-4SCHEMBL1124468SCHEMBL2836833CCA75905SBB027332DB-341621CS-0252033ST50405892EN300-57402G42326

Database identifiers

PubChem CID
45105

Properties

Computed structural properties

XLogP
2
Topological polar surface area
30.5 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
3
Rotatable bonds
4
Heavy atoms
16

Related reactions

1 records
New reaction record

Compound notes

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