5-(3,5-dimethoxyphenyl)-1,2,3,4-tetrahydroisoquinoline

C17H19NO2 — CID 56866430

IUPAC5-(3,5-dimethoxyphenyl)-1,2,3,4-tetrahydroisoquinoline
SMILESCOc1cc(OC)cc(-c2cccc3c2CCNC3)c1
InChIInChI=1S/C17H19NO2/c1-19-14-8-13(9-15(10-14)20-2)16-5-3-4-12-11-18-7-6-17(12)16/h3-5,8-10,18H,6-7,11H2,1-2H3
InChIKeyOXYZMFYRRXUOSM-UHFFFAOYSA-N
MW269.34 g/mol
LogP3.02
Rot. Bonds3

About 5-(3,5-dimethoxyphenyl)-1,2,3,4-tetrahydroisoquinoline

5-(3,5-dimethoxyphenyl)-1,2,3,4-tetrahydroisoquinoline (PubChem CID 56866430) has the molecular formula C17H19NO2 and a molecular weight of 269.34 g/mol. Its IUPAC name is 5-(3,5-dimethoxyphenyl)-1,2,3,4-tetrahydroisoquinoline.

Molecular Properties

Compound Name5-(3,5-dimethoxyphenyl)-1,2,3,4-tetrahydroisoquinoline
PubChem CID56866430
Molecular FormulaC17H19NO2
Molecular Weight269.34 g/mol
Exact Mass269.14
IUPAC Name5-(3,5-dimethoxyphenyl)-1,2,3,4-tetrahydroisoquinoline
SMILESCOc1cc(OC)cc(-c2cccc3c2CCNC3)c1
InChIInChI=1S/C17H19NO2/c1-19-14-8-13(9-15(10-14)20-2)16-5-3-4-12-11-18-7-6-17(12)16/h3-5,8-10,18H,6-7,11H2,1-2H3
InChIKeyOXYZMFYRRXUOSM-UHFFFAOYSA-N
XLogP3.02
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-methoxy-3-(1,2,3,4-tetrahydroisoquinolin-5-yl)quinoline
CID 56865850
1-(3,5-dimethoxyphenyl)-9H-fluorene
CID 152594732
(2R)-2-[3-(1,2,3,4-tetrahydroisoquinolin-5-yl)phenoxy]propanamide
CID 95554001
2-methoxy-5-(1,2,3,4-tetrahydroisoquinolin-5-yl)benzamide
CID 56875194
5-(2-methoxy-4,6-dimethylphenyl)-1,2,3,4-tetrahydroisoquinoline
CID 106781910
N-(3-methoxyphenyl)-1,2,3,4-tetrahydroisoquinolin-5-amine
CID 82582780
5-pyridin-3-yl-1,2,3,4-tetrahydroisoquinoline
CID 56863104
2-methoxy-4-(1,2,3,4-tetrahydroisoquinolin-5-yl)pyridine-3-carbonitrile
CID 56868045
1-[2-hydroxy-5-(1,2,3,4-tetrahydroisoquinolin-5-yl)phenyl]ethanone
CID 56875605
5-(1,2,3,4-tetrahydroisoquinolin-5-yl)-1H-pyridin-2-one
CID 56869022
3-(3-methoxyphenyl)-4,5,6,7-tetrahydro-[1,2]oxazolo[5,4-c]pyridine
CID 84647307
4-(3,5-dimethoxyphenyl)-2-methyl-1H-indene
CID 173192850

Frequently Asked Questions

What is the IUPAC name of 5-(3,5-dimethoxyphenyl)-1,2,3,4-tetrahydroisoquinoline?
The IUPAC name of 5-(3,5-dimethoxyphenyl)-1,2,3,4-tetrahydroisoquinoline (CID 56866430) is 5-(3,5-dimethoxyphenyl)-1,2,3,4-tetrahydroisoquinoline.
What is the SMILES notation for 5-(3,5-dimethoxyphenyl)-1,2,3,4-tetrahydroisoquinoline?
The canonical SMILES for 5-(3,5-dimethoxyphenyl)-1,2,3,4-tetrahydroisoquinoline is COc1cc(OC)cc(-c2cccc3c2CCNC3)c1.
What is the InChIKey of 5-(3,5-dimethoxyphenyl)-1,2,3,4-tetrahydroisoquinoline?
The InChIKey is OXYZMFYRRXUOSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO2/c1-19-14-8-13(9-15(10-14)20-2)16-5-3-4-12-11-18-7-6-17(12)16/h3-5,8-10,18H,6-7,11H2,1-2H3.
What are the key properties of 5-(3,5-dimethoxyphenyl)-1,2,3,4-tetrahydroisoquinoline?
5-(3,5-dimethoxyphenyl)-1,2,3,4-tetrahydroisoquinoline has a molecular weight of 269.34 g/mol, XLogP of 3.02, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,5-dimethoxyphenyl)-1,2,3,4-tetrahydroisoquinoline is sourced from PubChem (CID 56866430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).