3-cyclohexyl-6,8-dimethoxy-1,2,3,4-tetrahydroisoquinoline

C17H25NO2 — CID 177376067

IUPAC3-cyclohexyl-6,8-dimethoxy-1,2,3,4-tetrahydroisoquinoline
SMILESCOc1cc2c(c(OC)c1)CNC(C1CCCCC1)C2
InChIInChI=1S/C17H25NO2/c1-19-14-8-13-9-16(12-6-4-3-5-7-12)18-11-15(13)17(10-14)20-2/h8,10,12,16,18H,3-7,9,11H2,1-2H3
InChIKeyXPHSQPAWPLENIV-UHFFFAOYSA-N
MW275.39 g/mol
LogP3.30
Rot. Bonds3

About 3-cyclohexyl-6,8-dimethoxy-1,2,3,4-tetrahydroisoquinoline

3-cyclohexyl-6,8-dimethoxy-1,2,3,4-tetrahydroisoquinoline (PubChem CID 177376067) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is 3-cyclohexyl-6,8-dimethoxy-1,2,3,4-tetrahydroisoquinoline.

Molecular Properties

Compound Name3-cyclohexyl-6,8-dimethoxy-1,2,3,4-tetrahydroisoquinoline
PubChem CID177376067
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC Name3-cyclohexyl-6,8-dimethoxy-1,2,3,4-tetrahydroisoquinoline
SMILESCOc1cc2c(c(OC)c1)CNC(C1CCCCC1)C2
InChIInChI=1S/C17H25NO2/c1-19-14-8-13-9-16(12-6-4-3-5-7-12)18-11-15(13)17(10-14)20-2/h8,10,12,16,18H,3-7,9,11H2,1-2H3
InChIKeyXPHSQPAWPLENIV-UHFFFAOYSA-N
XLogP3.30
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-6,8-dimethoxy-1,2,3,4-tetrahydroisoquinoline?
The IUPAC name of 3-cyclohexyl-6,8-dimethoxy-1,2,3,4-tetrahydroisoquinoline (CID 177376067) is 3-cyclohexyl-6,8-dimethoxy-1,2,3,4-tetrahydroisoquinoline.
What is the SMILES notation for 3-cyclohexyl-6,8-dimethoxy-1,2,3,4-tetrahydroisoquinoline?
The canonical SMILES for 3-cyclohexyl-6,8-dimethoxy-1,2,3,4-tetrahydroisoquinoline is COc1cc2c(c(OC)c1)CNC(C1CCCCC1)C2.
What is the InChIKey of 3-cyclohexyl-6,8-dimethoxy-1,2,3,4-tetrahydroisoquinoline?
The InChIKey is XPHSQPAWPLENIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO2/c1-19-14-8-13-9-16(12-6-4-3-5-7-12)18-11-15(13)17(10-14)20-2/h8,10,12,16,18H,3-7,9,11H2,1-2H3.
What are the key properties of 3-cyclohexyl-6,8-dimethoxy-1,2,3,4-tetrahydroisoquinoline?
3-cyclohexyl-6,8-dimethoxy-1,2,3,4-tetrahydroisoquinoline has a molecular weight of 275.39 g/mol, XLogP of 3.30, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-6,8-dimethoxy-1,2,3,4-tetrahydroisoquinoline is sourced from PubChem (CID 177376067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).