(+/-)-trans-2-Butyl-4a-(3-methoxyphenyl)-6-oxo-1,2,3,4,4a,5,6,7,8, 8a-decahydroisoquinoline

HCID 86752323
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Basic information

Standard SMILES
CCCCN1CC[C@]2(c3cccc(OC)c3)CC(=O)CC[C@H]2C1
InChIKey
UANIPVQOZZICQY-FXAWDEMLSA-N
Molecular formula
C20H29NO2
Average molar mass
315.4 g/mol

Names & identifiers

Preferred name
(+/-)-trans-2-Butyl-4a-(3-methoxyphenyl)-6-oxo-1,2,3,4,4a,5,6,7,8, 8a-decahydroisoquinoline
IUPAC
(4aS,8aR)-2-butyl-4a-(3-methoxyphenyl)-3,4,5,7,8,8a-hexahydro-1H-isoquinolin-6-one

Names & synonyms

UANIPVQOZZICQY-FXAWDEMLSA-N(+/-)-trans-2-Butyl-4a-(3-methoxyphenyl)-6-oxo-1,2,3,4,4a,5,6,7,8, 8a-decahydroisoquinoline

Database identifiers

PubChem CID
86752323

Properties

Computed structural properties

XLogP
3.4
Topological polar surface area
29.5 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
5
Heavy atoms
23

Related reactions

1 records
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Linked notes

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