2-ethyl-1,1,6-trimethyl-3,4-dihydroisoquinoline

C14H21N — CID 58289854

IUPAC2-ethyl-1,1,6-trimethyl-3,4-dihydroisoquinoline
SMILESCCN1CCc2cc(C)ccc2C1(C)C
InChIInChI=1S/C14H21N/c1-5-15-9-8-12-10-11(2)6-7-13(12)14(15,3)4/h6-7,10H,5,8-9H2,1-4H3
InChIKeyFFUONCGHDMMDOW-UHFFFAOYSA-N
MW203.33 g/mol
LogP3.11
Rot. Bonds1

About 2-ethyl-1,1,6-trimethyl-3,4-dihydroisoquinoline

2-ethyl-1,1,6-trimethyl-3,4-dihydroisoquinoline (PubChem CID 58289854) has the molecular formula C14H21N and a molecular weight of 203.33 g/mol. Its IUPAC name is 2-ethyl-1,1,6-trimethyl-3,4-dihydroisoquinoline.

Molecular Properties

Compound Name2-ethyl-1,1,6-trimethyl-3,4-dihydroisoquinoline
PubChem CID58289854
Molecular FormulaC14H21N
Molecular Weight203.33 g/mol
Exact Mass203.17
IUPAC Name2-ethyl-1,1,6-trimethyl-3,4-dihydroisoquinoline
SMILESCCN1CCc2cc(C)ccc2C1(C)C
InChIInChI=1S/C14H21N/c1-5-15-9-8-12-10-11(2)6-7-13(12)14(15,3)4/h6-7,10H,5,8-9H2,1-4H3
InChIKeyFFUONCGHDMMDOW-UHFFFAOYSA-N
XLogP3.11
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.33
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2-ethyl-1,1,6-trimethyl-3,4-dihydroisoquinoline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1,1,6-trimethyl-3,4-dihydroisoquinoline?
The IUPAC name of 2-ethyl-1,1,6-trimethyl-3,4-dihydroisoquinoline (CID 58289854) is 2-ethyl-1,1,6-trimethyl-3,4-dihydroisoquinoline.
What is the SMILES notation for 2-ethyl-1,1,6-trimethyl-3,4-dihydroisoquinoline?
The canonical SMILES for 2-ethyl-1,1,6-trimethyl-3,4-dihydroisoquinoline is CCN1CCc2cc(C)ccc2C1(C)C.
What is the InChIKey of 2-ethyl-1,1,6-trimethyl-3,4-dihydroisoquinoline?
The InChIKey is FFUONCGHDMMDOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N/c1-5-15-9-8-12-10-11(2)6-7-13(12)14(15,3)4/h6-7,10H,5,8-9H2,1-4H3.
What are the key properties of 2-ethyl-1,1,6-trimethyl-3,4-dihydroisoquinoline?
2-ethyl-1,1,6-trimethyl-3,4-dihydroisoquinoline has a molecular weight of 203.33 g/mol, XLogP of 3.11, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1,1,6-trimethyl-3,4-dihydroisoquinoline is sourced from PubChem (CID 58289854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).