1-ethyl-8-fluoro-5-methyl-1,2,3,4-tetrahydroisoquinoline

C12H16FN — CID 83355681

IUPAC1-ethyl-8-fluoro-5-methyl-1,2,3,4-tetrahydroisoquinoline
SMILESCCC1NCCc2c(C)ccc(F)c21
InChIInChI=1S/C12H16FN/c1-3-11-12-9(6-7-14-11)8(2)4-5-10(12)13/h4-5,11,14H,3,6-7H2,1-2H3
InChIKeyPQINCPBPBGKAKV-UHFFFAOYSA-N
MW193.27 g/mol
LogP2.73
Rot. Bonds1

About 1-ethyl-8-fluoro-5-methyl-1,2,3,4-tetrahydroisoquinoline

1-ethyl-8-fluoro-5-methyl-1,2,3,4-tetrahydroisoquinoline (PubChem CID 83355681) has the molecular formula C12H16FN and a molecular weight of 193.27 g/mol. Its IUPAC name is 1-ethyl-8-fluoro-5-methyl-1,2,3,4-tetrahydroisoquinoline.

Molecular Properties

Compound Name1-ethyl-8-fluoro-5-methyl-1,2,3,4-tetrahydroisoquinoline
PubChem CID83355681
Molecular FormulaC12H16FN
Molecular Weight193.27 g/mol
Exact Mass193.13
IUPAC Name1-ethyl-8-fluoro-5-methyl-1,2,3,4-tetrahydroisoquinoline
SMILESCCC1NCCc2c(C)ccc(F)c21
InChIInChI=1S/C12H16FN/c1-3-11-12-9(6-7-14-11)8(2)4-5-10(12)13/h4-5,11,14H,3,6-7H2,1-2H3
InChIKeyPQINCPBPBGKAKV-UHFFFAOYSA-N
XLogP2.73
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.27
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-8-fluoro-5-methyl-1,2,3,4-tetrahydroisoquinoline?
The IUPAC name of 1-ethyl-8-fluoro-5-methyl-1,2,3,4-tetrahydroisoquinoline (CID 83355681) is 1-ethyl-8-fluoro-5-methyl-1,2,3,4-tetrahydroisoquinoline.
What is the SMILES notation for 1-ethyl-8-fluoro-5-methyl-1,2,3,4-tetrahydroisoquinoline?
The canonical SMILES for 1-ethyl-8-fluoro-5-methyl-1,2,3,4-tetrahydroisoquinoline is CCC1NCCc2c(C)ccc(F)c21.
What is the InChIKey of 1-ethyl-8-fluoro-5-methyl-1,2,3,4-tetrahydroisoquinoline?
The InChIKey is PQINCPBPBGKAKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FN/c1-3-11-12-9(6-7-14-11)8(2)4-5-10(12)13/h4-5,11,14H,3,6-7H2,1-2H3.
What are the key properties of 1-ethyl-8-fluoro-5-methyl-1,2,3,4-tetrahydroisoquinoline?
1-ethyl-8-fluoro-5-methyl-1,2,3,4-tetrahydroisoquinoline has a molecular weight of 193.27 g/mol, XLogP of 2.73, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-8-fluoro-5-methyl-1,2,3,4-tetrahydroisoquinoline is sourced from PubChem (CID 83355681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).