5-ethyl-8-fluoro-2-methyl-3,4-dihydro-1H-isoquinoline

C12H16FN — CID 166973712

IUPAC5-ethyl-8-fluoro-2-methyl-3,4-dihydro-1H-isoquinoline
SMILESCCc1ccc(F)c2c1CCN(C)C2
InChIInChI=1S/C12H16FN/c1-3-9-4-5-12(13)11-8-14(2)7-6-10(9)11/h4-5H,3,6-8H2,1-2H3
InChIKeyCADQJEOKXUJNMZ-UHFFFAOYSA-N
MW193.26 g/mol
LogP2.38
Rot. Bonds1

About 5-ethyl-8-fluoro-2-methyl-3,4-dihydro-1H-isoquinoline

5-ethyl-8-fluoro-2-methyl-3,4-dihydro-1H-isoquinoline (PubChem CID 166973712) has the molecular formula C12H16FN and a molecular weight of 193.26 g/mol. Its IUPAC name is 5-ethyl-8-fluoro-2-methyl-3,4-dihydro-1H-isoquinoline.

Molecular Properties

Compound Name5-ethyl-8-fluoro-2-methyl-3,4-dihydro-1H-isoquinoline
PubChem CID166973712
Molecular FormulaC12H16FN
Molecular Weight193.26 g/mol
Exact Mass193.13
IUPAC Name5-ethyl-8-fluoro-2-methyl-3,4-dihydro-1H-isoquinoline
SMILESCCc1ccc(F)c2c1CCN(C)C2
InChIInChI=1S/C12H16FN/c1-3-9-4-5-12(13)11-8-14(2)7-6-10(9)11/h4-5H,3,6-8H2,1-2H3
InChIKeyCADQJEOKXUJNMZ-UHFFFAOYSA-N
XLogP2.38
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.26
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

5-chloro-8-fluoro-2-methyl-3,4-dihydro-1H-isoquinoline
CID 84669129
8-fluoro-2-methyl-5-nitro-3,4-dihydro-1H-isoquinoline
CID 18687398
5-fluoro-2-methyl-8-nitro-3,4-dihydro-1H-isoquinoline
CID 141134359
7-fluoro-11-methyl-3-oxa-11-azatricyclo[6.4.1.04,13]trideca-1,4(13),5,7-tetraene-2-carbaldehyde
CID 15096085
6-ethyl-7-fluoro-2-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indole
CID 144868061
8-ethyl-2,6-dimethyl-3,4-dihydro-1H-isoquinoline
CID 170085418
ethyl 8-fluoro-5-nitro-3,4-dihydro-1H-isoquinoline-2-carboxylate
CID 141197327
6,7-diethyl-2-methyl-3,4-dihydro-1H-isoquinoline
CID 155395760
7-tert-butyl-5-ethyl-2-methyl-3,4-dihydro-1H-isoquinoline
CID 171575407
(1S)-7-ethyl-4-fluoro-2,3-dihydro-1H-inden-1-amine
CID 131145871
1-(4-ethyl-3-fluorophenyl)-4-methylpiperazine
CID 70652464
6-ethyl-2-methyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carbaldehyde
CID 82450170

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-8-fluoro-2-methyl-3,4-dihydro-1H-isoquinoline?
The IUPAC name of 5-ethyl-8-fluoro-2-methyl-3,4-dihydro-1H-isoquinoline (CID 166973712) is 5-ethyl-8-fluoro-2-methyl-3,4-dihydro-1H-isoquinoline.
What is the SMILES notation for 5-ethyl-8-fluoro-2-methyl-3,4-dihydro-1H-isoquinoline?
The canonical SMILES for 5-ethyl-8-fluoro-2-methyl-3,4-dihydro-1H-isoquinoline is CCc1ccc(F)c2c1CCN(C)C2.
What is the InChIKey of 5-ethyl-8-fluoro-2-methyl-3,4-dihydro-1H-isoquinoline?
The InChIKey is CADQJEOKXUJNMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FN/c1-3-9-4-5-12(13)11-8-14(2)7-6-10(9)11/h4-5H,3,6-8H2,1-2H3.
What are the key properties of 5-ethyl-8-fluoro-2-methyl-3,4-dihydro-1H-isoquinoline?
5-ethyl-8-fluoro-2-methyl-3,4-dihydro-1H-isoquinoline has a molecular weight of 193.26 g/mol, XLogP of 2.38, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-8-fluoro-2-methyl-3,4-dihydro-1H-isoquinoline is sourced from PubChem (CID 166973712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).