3-(fluoromethyl)-6-methyl-1,2,3,4-tetrahydroisoquinoline

C11H14FN — CID 84718259

IUPAC3-(fluoromethyl)-6-methyl-1,2,3,4-tetrahydroisoquinoline
SMILESCc1ccc2c(c1)CC(CF)NC2
InChIInChI=1S/C11H14FN/c1-8-2-3-9-7-13-11(6-12)5-10(9)4-8/h2-4,11,13H,5-7H2,1H3
InChIKeyGIENLFRJBDPJCK-UHFFFAOYSA-N
MW179.24 g/mol
LogP1.98
Rot. Bonds1

About 3-(fluoromethyl)-6-methyl-1,2,3,4-tetrahydroisoquinoline

3-(fluoromethyl)-6-methyl-1,2,3,4-tetrahydroisoquinoline (PubChem CID 84718259) has the molecular formula C11H14FN and a molecular weight of 179.24 g/mol. Its IUPAC name is 3-(fluoromethyl)-6-methyl-1,2,3,4-tetrahydroisoquinoline.

Molecular Properties

Compound Name3-(fluoromethyl)-6-methyl-1,2,3,4-tetrahydroisoquinoline
PubChem CID84718259
Molecular FormulaC11H14FN
Molecular Weight179.24 g/mol
Exact Mass179.11
IUPAC Name3-(fluoromethyl)-6-methyl-1,2,3,4-tetrahydroisoquinoline
SMILESCc1ccc2c(c1)CC(CF)NC2
InChIInChI=1S/C11H14FN/c1-8-2-3-9-7-13-11(6-12)5-10(9)4-8/h2-4,11,13H,5-7H2,1H3
InChIKeyGIENLFRJBDPJCK-UHFFFAOYSA-N
XLogP1.98
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.24
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 3-(fluoromethyl)-6-methyl-1,2,3,4-tetrahydroisoquinoline with MolForge

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

Launch Full Analysis

Related Compounds

N-[(6-methyl-1,2,3,4-tetrahydroisoquinolin-3-yl)methyl]ethanamine
CID 105456803
3-fluoro-6-methyl-1,2,3,4-tetrahydroisoquinoline
CID 123699781
(7-methyl-1,2,3,4-tetrahydroisoquinolin-3-yl)methanol;hydrochloride
CID 91928406
(3R)-3-(fluoromethyl)-7-isothiocyanato-1,2,3,4-tetrahydroisoquinoline
CID 100951007
(3R)-3-(fluoromethyl)-7-methylsulfonyl-1,2,3,4-tetrahydroisoquinoline
CID 100950995
(3R)-3-(fluoromethyl)-N-methyl-1,2,3,4-tetrahydroisoquinoline-7-sulfonamide
CID 100950997
3-(fluoromethyl)-1,2,3,4-tetrahydroisoquinoline-7-sulfonamide
CID 10399576
3-[2-(3-methylphenyl)ethyl]-6-(trifluoromethyl)-1,2,3,4-tetrahydroisoquinoline
CID 144539880
(3R)-N-ethyl-3-(fluoromethyl)-1,2,3,4-tetrahydroisoquinoline-7-sulfonamide
CID 11312887
3-benzyl-6-fluoro-1,2,3,4-tetrahydroisoquinoline;methanamine;toluene
CID 145489428
6-bromo-3-(bromomethyl)-1,2,3,4-tetrahydroisoquinoline
CID 133054244
6-methyl-1,2,3,4-tetrahydrophthalazine
CID 142250671

Frequently Asked Questions

What is the IUPAC name of 3-(fluoromethyl)-6-methyl-1,2,3,4-tetrahydroisoquinoline?
The IUPAC name of 3-(fluoromethyl)-6-methyl-1,2,3,4-tetrahydroisoquinoline (CID 84718259) is 3-(fluoromethyl)-6-methyl-1,2,3,4-tetrahydroisoquinoline.
What is the SMILES notation for 3-(fluoromethyl)-6-methyl-1,2,3,4-tetrahydroisoquinoline?
The canonical SMILES for 3-(fluoromethyl)-6-methyl-1,2,3,4-tetrahydroisoquinoline is Cc1ccc2c(c1)CC(CF)NC2.
What is the InChIKey of 3-(fluoromethyl)-6-methyl-1,2,3,4-tetrahydroisoquinoline?
The InChIKey is GIENLFRJBDPJCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FN/c1-8-2-3-9-7-13-11(6-12)5-10(9)4-8/h2-4,11,13H,5-7H2,1H3.
What are the key properties of 3-(fluoromethyl)-6-methyl-1,2,3,4-tetrahydroisoquinoline?
3-(fluoromethyl)-6-methyl-1,2,3,4-tetrahydroisoquinoline has a molecular weight of 179.24 g/mol, XLogP of 1.98, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(fluoromethyl)-6-methyl-1,2,3,4-tetrahydroisoquinoline is sourced from PubChem (CID 84718259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).