8-methoxy-1,2,3,4-tetrahydroisoquinoline

C10H13NO — CID 12950747

IUPAC8-methoxy-1,2,3,4-tetrahydroisoquinoline
SMILESCOc1cccc2c1CNCC2
InChIInChI=1S/C10H13NO/c1-12-10-4-2-3-8-5-6-11-7-9(8)10/h2-4,11H,5-7H2,1H3
InChIKeyVEYNNZSFJBDSPI-UHFFFAOYSA-N
MW163.22 g/mol
LogP1.34
Rot. Bonds1

About 8-methoxy-1,2,3,4-tetrahydroisoquinoline

8-methoxy-1,2,3,4-tetrahydroisoquinoline (PubChem CID 12950747) has the molecular formula C10H13NO and a molecular weight of 163.22 g/mol. Its IUPAC name is 8-methoxy-1,2,3,4-tetrahydroisoquinoline.

Molecular Properties

Compound Name8-methoxy-1,2,3,4-tetrahydroisoquinoline
PubChem CID12950747
Molecular FormulaC10H13NO
Molecular Weight163.22 g/mol
Exact Mass163.10
IUPAC Name8-methoxy-1,2,3,4-tetrahydroisoquinoline
SMILESCOc1cccc2c1CNCC2
InChIInChI=1S/C10H13NO/c1-12-10-4-2-3-8-5-6-11-7-9(8)10/h2-4,11H,5-7H2,1H3
InChIKeyVEYNNZSFJBDSPI-UHFFFAOYSA-N
XLogP1.34
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.22
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-methoxy-1,2,3,4-tetrahydroisoquinoline?
The IUPAC name of 8-methoxy-1,2,3,4-tetrahydroisoquinoline (CID 12950747) is 8-methoxy-1,2,3,4-tetrahydroisoquinoline.
What is the SMILES notation for 8-methoxy-1,2,3,4-tetrahydroisoquinoline?
The canonical SMILES for 8-methoxy-1,2,3,4-tetrahydroisoquinoline is COc1cccc2c1CNCC2.
What is the InChIKey of 8-methoxy-1,2,3,4-tetrahydroisoquinoline?
The InChIKey is VEYNNZSFJBDSPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO/c1-12-10-4-2-3-8-5-6-11-7-9(8)10/h2-4,11H,5-7H2,1H3.
What are the key properties of 8-methoxy-1,2,3,4-tetrahydroisoquinoline?
8-methoxy-1,2,3,4-tetrahydroisoquinoline has a molecular weight of 163.22 g/mol, XLogP of 1.34, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-1,2,3,4-tetrahydroisoquinoline is sourced from PubChem (CID 12950747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).