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

C13H19N — CID 64689359

IUPAC7-ethyl-3,4-dimethyl-1,2,3,4-tetrahydroisoquinoline
SMILESCCc1ccc2c(c1)CNC(C)C2C
InChIInChI=1S/C13H19N/c1-4-11-5-6-13-9(2)10(3)14-8-12(13)7-11/h5-7,9-10,14H,4,8H2,1-3H3
InChIKeyJICHIYZGIPDIJO-UHFFFAOYSA-N
MW189.30 g/mol
LogP2.84
Rot. Bonds1

About 7-ethyl-3,4-dimethyl-1,2,3,4-tetrahydroisoquinoline

7-ethyl-3,4-dimethyl-1,2,3,4-tetrahydroisoquinoline (PubChem CID 64689359) has the molecular formula C13H19N and a molecular weight of 189.30 g/mol. Its IUPAC name is 7-ethyl-3,4-dimethyl-1,2,3,4-tetrahydroisoquinoline.

Molecular Properties

Compound Name7-ethyl-3,4-dimethyl-1,2,3,4-tetrahydroisoquinoline
PubChem CID64689359
Molecular FormulaC13H19N
Molecular Weight189.30 g/mol
Exact Mass189.15
IUPAC Name7-ethyl-3,4-dimethyl-1,2,3,4-tetrahydroisoquinoline
SMILESCCc1ccc2c(c1)CNC(C)C2C
InChIInChI=1S/C13H19N/c1-4-11-5-6-13-9(2)10(3)14-8-12(13)7-11/h5-7,9-10,14H,4,8H2,1-3H3
InChIKeyJICHIYZGIPDIJO-UHFFFAOYSA-N
XLogP2.84
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.30
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 7-ethyl-3,4-dimethyl-1,2,3,4-tetrahydroisoquinoline?
The IUPAC name of 7-ethyl-3,4-dimethyl-1,2,3,4-tetrahydroisoquinoline (CID 64689359) is 7-ethyl-3,4-dimethyl-1,2,3,4-tetrahydroisoquinoline.
What is the SMILES notation for 7-ethyl-3,4-dimethyl-1,2,3,4-tetrahydroisoquinoline?
The canonical SMILES for 7-ethyl-3,4-dimethyl-1,2,3,4-tetrahydroisoquinoline is CCc1ccc2c(c1)CNC(C)C2C.
What is the InChIKey of 7-ethyl-3,4-dimethyl-1,2,3,4-tetrahydroisoquinoline?
The InChIKey is JICHIYZGIPDIJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N/c1-4-11-5-6-13-9(2)10(3)14-8-12(13)7-11/h5-7,9-10,14H,4,8H2,1-3H3.
What are the key properties of 7-ethyl-3,4-dimethyl-1,2,3,4-tetrahydroisoquinoline?
7-ethyl-3,4-dimethyl-1,2,3,4-tetrahydroisoquinoline has a molecular weight of 189.30 g/mol, XLogP of 2.84, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethyl-3,4-dimethyl-1,2,3,4-tetrahydroisoquinoline is sourced from PubChem (CID 64689359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).