3-fluoro-6-methyl-1,2,3,4-tetrahydroisoquinoline

C10H12FN — CID 123699781

IUPAC3-fluoro-6-methyl-1,2,3,4-tetrahydroisoquinoline
SMILESCc1ccc2c(c1)CC(F)NC2
InChIInChI=1S/C10H12FN/c1-7-2-3-8-6-12-10(11)5-9(8)4-7/h2-4,10,12H,5-6H2,1H3
InChIKeyWAEPYQXUDYPJOZ-UHFFFAOYSA-N
MW165.21 g/mol
LogP1.94
Rot. Bonds

About 3-fluoro-6-methyl-1,2,3,4-tetrahydroisoquinoline

3-fluoro-6-methyl-1,2,3,4-tetrahydroisoquinoline (PubChem CID 123699781) has the molecular formula C10H12FN and a molecular weight of 165.21 g/mol. Its IUPAC name is 3-fluoro-6-methyl-1,2,3,4-tetrahydroisoquinoline.

Molecular Properties

Compound Name3-fluoro-6-methyl-1,2,3,4-tetrahydroisoquinoline
PubChem CID123699781
Molecular FormulaC10H12FN
Molecular Weight165.21 g/mol
Exact Mass165.10
IUPAC Name3-fluoro-6-methyl-1,2,3,4-tetrahydroisoquinoline
SMILESCc1ccc2c(c1)CC(F)NC2
InChIInChI=1S/C10H12FN/c1-7-2-3-8-6-12-10(11)5-9(8)4-7/h2-4,10,12H,5-6H2,1H3
InChIKeyWAEPYQXUDYPJOZ-UHFFFAOYSA-N
XLogP1.94
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.21
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

3-(fluoromethyl)-6-methyl-1,2,3,4-tetrahydroisoquinoline
CID 84718259
N-[(6-methyl-1,2,3,4-tetrahydroisoquinolin-3-yl)methyl]ethanamine
CID 105456803
6-methyl-1,2,3,4-tetrahydrophthalazine
CID 142250671
(3R)-7-methyl-3-phenyl-1,2,3,4-tetrahydroisoquinoline
CID 101369322
(7-methyl-1,2,3,4-tetrahydroisoquinolin-3-yl)methanol;hydrochloride
CID 91928406
1-(4-fluorophenyl)-6-methyl-2,3-dihydro-1H-isoindole
CID 84735923
N,5-dimethyl-2,3-dihydro-1H-inden-2-amine
CID 23397060
6-methyl-2,3-dihydro-1H-isoindol-1-amine
CID 20773265
methyl (3R)-7-methyl-1,2,3,4-tetrahydroisoquinoline-3-carboxylate
CID 67096009
benzyl 6-methyl-1,2,3,4-tetrahydroisoquinoline-3-carboxylate
CID 139684368
4-fluoro-6-methyl-1,2,3,4-tetrahydroisoquinoline
CID 84717063
3,7-dimethyl-1,2,3,4-tetrahydronaphthalen-2-ol
CID 163891740

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-6-methyl-1,2,3,4-tetrahydroisoquinoline?
The IUPAC name of 3-fluoro-6-methyl-1,2,3,4-tetrahydroisoquinoline (CID 123699781) is 3-fluoro-6-methyl-1,2,3,4-tetrahydroisoquinoline.
What is the SMILES notation for 3-fluoro-6-methyl-1,2,3,4-tetrahydroisoquinoline?
The canonical SMILES for 3-fluoro-6-methyl-1,2,3,4-tetrahydroisoquinoline is Cc1ccc2c(c1)CC(F)NC2.
What is the InChIKey of 3-fluoro-6-methyl-1,2,3,4-tetrahydroisoquinoline?
The InChIKey is WAEPYQXUDYPJOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FN/c1-7-2-3-8-6-12-10(11)5-9(8)4-7/h2-4,10,12H,5-6H2,1H3.
What are the key properties of 3-fluoro-6-methyl-1,2,3,4-tetrahydroisoquinoline?
3-fluoro-6-methyl-1,2,3,4-tetrahydroisoquinoline has a molecular weight of 165.21 g/mol, XLogP of 1.94, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-6-methyl-1,2,3,4-tetrahydroisoquinoline is sourced from PubChem (CID 123699781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).