6-methoxy-1-naphthalen-1-yl-1,2,3,4-tetrahydroisoquinoline

C20H19NO — CID 4019885

IUPAC6-methoxy-1-naphthalen-1-yl-1,2,3,4-tetrahydroisoquinoline
SMILESCOc1ccc2c(c1)CCNC2c1cccc2ccccc12
InChIInChI=1S/C20H19NO/c1-22-16-9-10-18-15(13-16)11-12-21-20(18)19-8-4-6-14-5-2-3-7-17(14)19/h2-10,13,20-21H,11-12H2,1H3
InChIKeyODFULIYFLCHMGC-UHFFFAOYSA-N
MW289.38 g/mol
LogP4.08
Rot. Bonds2

About 6-methoxy-1-naphthalen-1-yl-1,2,3,4-tetrahydroisoquinoline

6-methoxy-1-naphthalen-1-yl-1,2,3,4-tetrahydroisoquinoline (PubChem CID 4019885) has the molecular formula C20H19NO and a molecular weight of 289.38 g/mol. Its IUPAC name is 6-methoxy-1-naphthalen-1-yl-1,2,3,4-tetrahydroisoquinoline.

Molecular Properties

Compound Name6-methoxy-1-naphthalen-1-yl-1,2,3,4-tetrahydroisoquinoline
PubChem CID4019885
Molecular FormulaC20H19NO
Molecular Weight289.38 g/mol
Exact Mass289.15
IUPAC Name6-methoxy-1-naphthalen-1-yl-1,2,3,4-tetrahydroisoquinoline
SMILESCOc1ccc2c(c1)CCNC2c1cccc2ccccc12
InChIInChI=1S/C20H19NO/c1-22-16-9-10-18-15(13-16)11-12-21-20(18)19-8-4-6-14-5-2-3-7-17(14)19/h2-10,13,20-21H,11-12H2,1H3
InChIKeyODFULIYFLCHMGC-UHFFFAOYSA-N
XLogP4.08
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-naphthalen-1-yl-6-phenylmethoxy-1,2,3,4-tetrahydroisoquinoline
CID 3925916
2-(6-methoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)quinoline
CID 4317391
6-methoxy-1-(2-methoxy-5-phenylphenyl)-1,2,3,4-tetrahydroisoquinoline
CID 3623232
6-methoxy-1-(2,3,4-trifluorophenyl)-1,2,3,4-tetrahydroisoquinoline
CID 106543754
(1S)-1-(3-methoxyphenyl)-1,2,3,4-tetrahydroisoquinoline
CID 7010656
1-(5-chloro-2-methoxy-3-methylphenyl)-6-methoxy-1,2,3,4-tetrahydroisoquinoline
CID 3965656
6-methoxy-1-[(4-methoxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline
CID 143954648
6-methoxy-1-(5-methyl-2-pyridinyl)-1,2,3,4-tetrahydroisoquinoline
CID 3471481
6-methoxy-1,2,3,4-tetrahydroisoquinolin-1-ol;hydrochloride
CID 90423697
6-methoxy-1,2,3,4-tetrahydroisoquinoline-1-carbonitrile
CID 102340504
1-(4,5-dimethoxy-2-nitrophenyl)-6-methoxy-1,2,3,4-tetrahydroisoquinoline
CID 3261795
1-(4-methoxy-3,5-dimethylphenyl)-6-phenylmethoxy-1,2,3,4-tetrahydroisoquinoline
CID 3931164

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-1-naphthalen-1-yl-1,2,3,4-tetrahydroisoquinoline?
The IUPAC name of 6-methoxy-1-naphthalen-1-yl-1,2,3,4-tetrahydroisoquinoline (CID 4019885) is 6-methoxy-1-naphthalen-1-yl-1,2,3,4-tetrahydroisoquinoline.
What is the SMILES notation for 6-methoxy-1-naphthalen-1-yl-1,2,3,4-tetrahydroisoquinoline?
The canonical SMILES for 6-methoxy-1-naphthalen-1-yl-1,2,3,4-tetrahydroisoquinoline is COc1ccc2c(c1)CCNC2c1cccc2ccccc12.
What is the InChIKey of 6-methoxy-1-naphthalen-1-yl-1,2,3,4-tetrahydroisoquinoline?
The InChIKey is ODFULIYFLCHMGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO/c1-22-16-9-10-18-15(13-16)11-12-21-20(18)19-8-4-6-14-5-2-3-7-17(14)19/h2-10,13,20-21H,11-12H2,1H3.
What are the key properties of 6-methoxy-1-naphthalen-1-yl-1,2,3,4-tetrahydroisoquinoline?
6-methoxy-1-naphthalen-1-yl-1,2,3,4-tetrahydroisoquinoline has a molecular weight of 289.38 g/mol, XLogP of 4.08, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-1-naphthalen-1-yl-1,2,3,4-tetrahydroisoquinoline is sourced from PubChem (CID 4019885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).