6-(2-cyclopropylethoxy)-5-ethenyl-1,2,3,4-tetrahydroisoquinoline

C16H21NO — CID 118966773

IUPAC6-(2-cyclopropylethoxy)-5-ethenyl-1,2,3,4-tetrahydroisoquinoline
SMILESC=Cc1c(OCCC2CC2)ccc2c1CCNC2
InChIInChI=1S/C16H21NO/c1-2-14-15-7-9-17-11-13(15)5-6-16(14)18-10-8-12-3-4-12/h2,5-6,12,17H,1,3-4,7-11H2
InChIKeyNWMCKHRMYNIRPB-UHFFFAOYSA-N
MW243.35 g/mol
LogP3.15
Rot. Bonds5

About 6-(2-cyclopropylethoxy)-5-ethenyl-1,2,3,4-tetrahydroisoquinoline

6-(2-cyclopropylethoxy)-5-ethenyl-1,2,3,4-tetrahydroisoquinoline (PubChem CID 118966773) has the molecular formula C16H21NO and a molecular weight of 243.35 g/mol. Its IUPAC name is 6-(2-cyclopropylethoxy)-5-ethenyl-1,2,3,4-tetrahydroisoquinoline.

Molecular Properties

Compound Name6-(2-cyclopropylethoxy)-5-ethenyl-1,2,3,4-tetrahydroisoquinoline
PubChem CID118966773
Molecular FormulaC16H21NO
Molecular Weight243.35 g/mol
Exact Mass243.16
IUPAC Name6-(2-cyclopropylethoxy)-5-ethenyl-1,2,3,4-tetrahydroisoquinoline
SMILESC=Cc1c(OCCC2CC2)ccc2c1CCNC2
InChIInChI=1S/C16H21NO/c1-2-14-15-7-9-17-11-13(15)5-6-16(14)18-10-8-12-3-4-12/h2,5-6,12,17H,1,3-4,7-11H2
InChIKeyNWMCKHRMYNIRPB-UHFFFAOYSA-N
XLogP3.15
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-(2-cyclopropylethoxy)-5-ethenyl-1,2,3,4-tetrahydroisoquinoline?
The IUPAC name of 6-(2-cyclopropylethoxy)-5-ethenyl-1,2,3,4-tetrahydroisoquinoline (CID 118966773) is 6-(2-cyclopropylethoxy)-5-ethenyl-1,2,3,4-tetrahydroisoquinoline.
What is the SMILES notation for 6-(2-cyclopropylethoxy)-5-ethenyl-1,2,3,4-tetrahydroisoquinoline?
The canonical SMILES for 6-(2-cyclopropylethoxy)-5-ethenyl-1,2,3,4-tetrahydroisoquinoline is C=Cc1c(OCCC2CC2)ccc2c1CCNC2.
What is the InChIKey of 6-(2-cyclopropylethoxy)-5-ethenyl-1,2,3,4-tetrahydroisoquinoline?
The InChIKey is NWMCKHRMYNIRPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO/c1-2-14-15-7-9-17-11-13(15)5-6-16(14)18-10-8-12-3-4-12/h2,5-6,12,17H,1,3-4,7-11H2.
What are the key properties of 6-(2-cyclopropylethoxy)-5-ethenyl-1,2,3,4-tetrahydroisoquinoline?
6-(2-cyclopropylethoxy)-5-ethenyl-1,2,3,4-tetrahydroisoquinoline has a molecular weight of 243.35 g/mol, XLogP of 3.15, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-cyclopropylethoxy)-5-ethenyl-1,2,3,4-tetrahydroisoquinoline is sourced from PubChem (CID 118966773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).