6-(2-fluoro-2-methylpropoxy)-1,2,3,4-tetrahydroisoquinoline;hydrochloride

C13H19ClFNO — CID 136576392

IUPAC6-(2-fluoro-2-methylpropoxy)-1,2,3,4-tetrahydroisoquinoline;hydrochloride
SMILESCC(C)(F)COc1ccc2c(c1)CCNC2.Cl
InChIInChI=1S/C13H18FNO.ClH/c1-13(2,14)9-16-12-4-3-11-8-15-6-5-10(11)7-12;/h3-4,7,15H,5-6,8-9H2,1-2H3;1H
InChIKeyZRUDOBNQVTXEKK-UHFFFAOYSA-N
MW259.75 g/mol
LogP2.88
Rot. Bonds3

About 6-(2-fluoro-2-methylpropoxy)-1,2,3,4-tetrahydroisoquinoline;hydrochloride

6-(2-fluoro-2-methylpropoxy)-1,2,3,4-tetrahydroisoquinoline;hydrochloride (PubChem CID 136576392) has the molecular formula C13H19ClFNO and a molecular weight of 259.75 g/mol. Its IUPAC name is 6-(2-fluoro-2-methylpropoxy)-1,2,3,4-tetrahydroisoquinoline;hydrochloride.

Molecular Properties

Compound Name6-(2-fluoro-2-methylpropoxy)-1,2,3,4-tetrahydroisoquinoline;hydrochloride
PubChem CID136576392
Molecular FormulaC13H19ClFNO
Molecular Weight259.75 g/mol
Exact Mass259.11
IUPAC Name6-(2-fluoro-2-methylpropoxy)-1,2,3,4-tetrahydroisoquinoline;hydrochloride
SMILESCC(C)(F)COc1ccc2c(c1)CCNC2.Cl
InChIInChI=1S/C13H18FNO.ClH/c1-13(2,14)9-16-12-4-3-11-8-15-6-5-10(11)7-12;/h3-4,7,15H,5-6,8-9H2,1-2H3;1H
InChIKeyZRUDOBNQVTXEKK-UHFFFAOYSA-N
XLogP2.88
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.75
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 6-(2-fluoro-2-methylpropoxy)-1,2,3,4-tetrahydroisoquinoline;hydrochloride 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 6-(2-fluoro-2-methylpropoxy)-1,2,3,4-tetrahydroisoquinoline;hydrochloride?
The IUPAC name of 6-(2-fluoro-2-methylpropoxy)-1,2,3,4-tetrahydroisoquinoline;hydrochloride (CID 136576392) is 6-(2-fluoro-2-methylpropoxy)-1,2,3,4-tetrahydroisoquinoline;hydrochloride.
What is the SMILES notation for 6-(2-fluoro-2-methylpropoxy)-1,2,3,4-tetrahydroisoquinoline;hydrochloride?
The canonical SMILES for 6-(2-fluoro-2-methylpropoxy)-1,2,3,4-tetrahydroisoquinoline;hydrochloride is CC(C)(F)COc1ccc2c(c1)CCNC2.Cl.
What is the InChIKey of 6-(2-fluoro-2-methylpropoxy)-1,2,3,4-tetrahydroisoquinoline;hydrochloride?
The InChIKey is ZRUDOBNQVTXEKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNO.ClH/c1-13(2,14)9-16-12-4-3-11-8-15-6-5-10(11)7-12;/h3-4,7,15H,5-6,8-9H2,1-2H3;1H.
What are the key properties of 6-(2-fluoro-2-methylpropoxy)-1,2,3,4-tetrahydroisoquinoline;hydrochloride?
6-(2-fluoro-2-methylpropoxy)-1,2,3,4-tetrahydroisoquinoline;hydrochloride has a molecular weight of 259.75 g/mol, XLogP of 2.88, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-fluoro-2-methylpropoxy)-1,2,3,4-tetrahydroisoquinoline;hydrochloride is sourced from PubChem (CID 136576392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).