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

C13H19NO — CID 67538348

IUPAC8-methoxy-1-propyl-1,2,3,4-tetrahydroisoquinoline
SMILESCCCC1NCCc2cccc(OC)c21
InChIInChI=1S/C13H19NO/c1-3-5-11-13-10(8-9-14-11)6-4-7-12(13)15-2/h4,6-7,11,14H,3,5,8-9H2,1-2H3
InChIKeyKROFTZWLNAPHTO-UHFFFAOYSA-N
MW205.30 g/mol
LogP2.68
Rot. Bonds3

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

8-methoxy-1-propyl-1,2,3,4-tetrahydroisoquinoline (PubChem CID 67538348) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is 8-methoxy-1-propyl-1,2,3,4-tetrahydroisoquinoline.

Molecular Properties

Compound Name8-methoxy-1-propyl-1,2,3,4-tetrahydroisoquinoline
PubChem CID67538348
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name8-methoxy-1-propyl-1,2,3,4-tetrahydroisoquinoline
SMILESCCCC1NCCc2cccc(OC)c21
InChIInChI=1S/C13H19NO/c1-3-5-11-13-10(8-9-14-11)6-4-7-12(13)15-2/h4,6-7,11,14H,3,5,8-9H2,1-2H3
InChIKeyKROFTZWLNAPHTO-UHFFFAOYSA-N
XLogP2.68
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-methoxy-1-propyl-1,2,3,4-tetrahydroisoquinoline?
The IUPAC name of 8-methoxy-1-propyl-1,2,3,4-tetrahydroisoquinoline (CID 67538348) is 8-methoxy-1-propyl-1,2,3,4-tetrahydroisoquinoline.
What is the SMILES notation for 8-methoxy-1-propyl-1,2,3,4-tetrahydroisoquinoline?
The canonical SMILES for 8-methoxy-1-propyl-1,2,3,4-tetrahydroisoquinoline is CCCC1NCCc2cccc(OC)c21.
What is the InChIKey of 8-methoxy-1-propyl-1,2,3,4-tetrahydroisoquinoline?
The InChIKey is KROFTZWLNAPHTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO/c1-3-5-11-13-10(8-9-14-11)6-4-7-12(13)15-2/h4,6-7,11,14H,3,5,8-9H2,1-2H3.
What are the key properties of 8-methoxy-1-propyl-1,2,3,4-tetrahydroisoquinoline?
8-methoxy-1-propyl-1,2,3,4-tetrahydroisoquinoline has a molecular weight of 205.30 g/mol, XLogP of 2.68, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-1-propyl-1,2,3,4-tetrahydroisoquinoline is sourced from PubChem (CID 67538348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).