3-ethyl-1,2,3,4-tetrahydroisoquinoline

C11H15N — CID 14027805

IUPAC3-ethyl-1,2,3,4-tetrahydroisoquinoline
SMILESCCC1Cc2ccccc2CN1
InChIInChI=1S/C11H15N/c1-2-11-7-9-5-3-4-6-10(9)8-12-11/h3-6,11-12H,2,7-8H2,1H3
InChIKeyDQJWABGLXUIRKS-UHFFFAOYSA-N
MW161.25 g/mol
LogP2.11
Rot. Bonds1

About 3-ethyl-1,2,3,4-tetrahydroisoquinoline

3-ethyl-1,2,3,4-tetrahydroisoquinoline (PubChem CID 14027805) has the molecular formula C11H15N and a molecular weight of 161.25 g/mol. Its IUPAC name is 3-ethyl-1,2,3,4-tetrahydroisoquinoline.

Molecular Properties

Compound Name3-ethyl-1,2,3,4-tetrahydroisoquinoline
PubChem CID14027805
Molecular FormulaC11H15N
Molecular Weight161.25 g/mol
Exact Mass161.12
IUPAC Name3-ethyl-1,2,3,4-tetrahydroisoquinoline
SMILESCCC1Cc2ccccc2CN1
InChIInChI=1S/C11H15N/c1-2-11-7-9-5-3-4-6-10(9)8-12-11/h3-6,11-12H,2,7-8H2,1H3
InChIKeyDQJWABGLXUIRKS-UHFFFAOYSA-N
XLogP2.11
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.25
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1,2,3,4-tetrahydroisoquinoline?
The IUPAC name of 3-ethyl-1,2,3,4-tetrahydroisoquinoline (CID 14027805) is 3-ethyl-1,2,3,4-tetrahydroisoquinoline.
What is the SMILES notation for 3-ethyl-1,2,3,4-tetrahydroisoquinoline?
The canonical SMILES for 3-ethyl-1,2,3,4-tetrahydroisoquinoline is CCC1Cc2ccccc2CN1.
What is the InChIKey of 3-ethyl-1,2,3,4-tetrahydroisoquinoline?
The InChIKey is DQJWABGLXUIRKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N/c1-2-11-7-9-5-3-4-6-10(9)8-12-11/h3-6,11-12H,2,7-8H2,1H3.
What are the key properties of 3-ethyl-1,2,3,4-tetrahydroisoquinoline?
3-ethyl-1,2,3,4-tetrahydroisoquinoline has a molecular weight of 161.25 g/mol, XLogP of 2.11, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1,2,3,4-tetrahydroisoquinoline is sourced from PubChem (CID 14027805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).