(1R)-1-(furan-3-yl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline

C15H17NO3 — CID 96980269

IUPAC(1R)-1-(furan-3-yl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline
SMILESCOc1cc2c(cc1OC)[C@H](c1ccoc1)NCC2
InChIInChI=1S/C15H17NO3/c1-17-13-7-10-3-5-16-15(11-4-6-19-9-11)12(10)8-14(13)18-2/h4,6-9,15-16H,3,5H2,1-2H3/t15-/m0/s1
InChIKeyKAEJMQGMBCRLOH-HNNXBMFYSA-N
MW259.31 g/mol
LogP2.53
Rot. Bonds3

About (1R)-1-(furan-3-yl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline

(1R)-1-(furan-3-yl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline (PubChem CID 96980269) has the molecular formula C15H17NO3 and a molecular weight of 259.31 g/mol. Its IUPAC name is (1R)-1-(furan-3-yl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline.

Molecular Properties

Compound Name(1R)-1-(furan-3-yl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline
PubChem CID96980269
Molecular FormulaC15H17NO3
Molecular Weight259.31 g/mol
Exact Mass259.12
IUPAC Name(1R)-1-(furan-3-yl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline
SMILESCOc1cc2c(cc1OC)[C@H](c1ccoc1)NCC2
InChIInChI=1S/C15H17NO3/c1-17-13-7-10-3-5-16-15(11-4-6-19-9-11)12(10)8-14(13)18-2/h4,6-9,15-16H,3,5H2,1-2H3/t15-/m0/s1
InChIKeyKAEJMQGMBCRLOH-HNNXBMFYSA-N
XLogP2.53
TPSA43.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1R)-1-(furan-3-yl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline;hydrochloride
CID 168869332
(1R)-6,7-dimethoxy-1-pyridin-4-yl-1,2,3,4-tetrahydroisoquinoline
CID 745498
1-(4-iodophenyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline
CID 3998225
1-(4-ethylphenyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline
CID 3248607
4-[(1S)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl]-N-hydroxybenzeneamine oxide
CID 163132687
6-ethoxy-1-(4-ethoxy-3-methoxyphenyl)-7-methoxy-1,2,3,4-tetrahydroisoquinoline
CID 4318685
1-(3,4-dimethoxyphenyl)-6,7-diethoxy-1,2,3,4-tetrahydroisoquinoline
CID 3351200
(1S)-1-(3,4-dimethoxyphenyl)-6-ethoxy-7-methoxy-1,2,3,4-tetrahydroisoquinoline
CID 729177
1-(4-chlorophenyl)-6-ethoxy-7-methoxy-1,2,3,4-tetrahydroisoquinoline;hydrochloride
CID 90485258
6-methoxy-7-methyl-1-phenyl-1,2,3,4-tetrahydroisoquinoline
CID 142814527
1-(5-bromo-2-methoxyphenyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline
CID 3969108
1-(4-bromophenyl)-7-ethoxy-6-methoxy-1,2,3,4-tetrahydroisoquinoline
CID 5105093

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(furan-3-yl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline?
The IUPAC name of (1R)-1-(furan-3-yl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline (CID 96980269) is (1R)-1-(furan-3-yl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline.
What is the SMILES notation for (1R)-1-(furan-3-yl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline?
The canonical SMILES for (1R)-1-(furan-3-yl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline is COc1cc2c(cc1OC)[C@H](c1ccoc1)NCC2.
What is the InChIKey of (1R)-1-(furan-3-yl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline?
The InChIKey is KAEJMQGMBCRLOH-HNNXBMFYSA-N. The full InChI is InChI=1S/C15H17NO3/c1-17-13-7-10-3-5-16-15(11-4-6-19-9-11)12(10)8-14(13)18-2/h4,6-9,15-16H,3,5H2,1-2H3/t15-/m0/s1.
What are the key properties of (1R)-1-(furan-3-yl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline?
(1R)-1-(furan-3-yl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline has a molecular weight of 259.31 g/mol, XLogP of 2.53, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(furan-3-yl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline is sourced from PubChem (CID 96980269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).