1,2,3,4-Tetrahydro-7-methoxy-2-[2-(4-nitrophenyl)ethyl]isoquinoline

HCID 19974559
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Basic information

Standard SMILES
COc1ccc2c(c1)CN(CCc1ccc([N+](=O)[O-])cc1)CC2
InChIKey
YCHNFTVHOOBFEN-UHFFFAOYSA-N
Molecular formula
C18H20N2O3
Average molar mass
312.4 g/mol

Names & identifiers

Preferred name
1,2,3,4-Tetrahydro-7-methoxy-2-[2-(4-nitrophenyl)ethyl]isoquinoline
IUPAC
7-methoxy-2-[2-(4-nitrophenyl)ethyl]-3,4-dihydro-1H-isoquinoline

Names & synonyms

SCHEMBL8789944YCHNFTVHOOBFEN-UHFFFAOYSA-N1,2,3,4-Tetrahydro-7-methoxy-2-[2-(4-nitrophenyl)ethyl]isoquinoline

Database identifiers

PubChem CID
19974559

Properties

Computed structural properties

XLogP
3.5
Topological polar surface area
58.3 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
4
Rotatable bonds
4
Heavy atoms
23

Related reactions

2 records
New reaction record

Compound notes

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