5-ethyl-3-fluoro-1-methylindole;propane

C14H20FN — CID 176701533

IUPAC5-ethyl-3-fluoro-1-methylindole;propane
SMILESCCC.CCc1ccc2c(c1)c(F)cn2C
InChIInChI=1S/C11H12FN.C3H8/c1-3-8-4-5-11-9(6-8)10(12)7-13(11)2;1-3-2/h4-7H,3H2,1-2H3;3H2,1-2H3
InChIKeyLLLCZJOEGAVPCK-UHFFFAOYSA-N
MW221.32 g/mol
LogP4.30
Rot. Bonds1

About 5-ethyl-3-fluoro-1-methylindole;propane

5-ethyl-3-fluoro-1-methylindole;propane (PubChem CID 176701533) has the molecular formula C14H20FN and a molecular weight of 221.32 g/mol. Its IUPAC name is 5-ethyl-3-fluoro-1-methylindole;propane.

Molecular Properties

Compound Name5-ethyl-3-fluoro-1-methylindole;propane
PubChem CID176701533
Molecular FormulaC14H20FN
Molecular Weight221.32 g/mol
Exact Mass221.16
IUPAC Name5-ethyl-3-fluoro-1-methylindole;propane
SMILESCCC.CCc1ccc2c(c1)c(F)cn2C
InChIInChI=1S/C11H12FN.C3H8/c1-3-8-4-5-11-9(6-8)10(12)7-13(11)2;1-3-2/h4-7H,3H2,1-2H3;3H2,1-2H3
InChIKeyLLLCZJOEGAVPCK-UHFFFAOYSA-N
XLogP4.30
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.32
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

ethane;3-fluoro-1,5-dimethylindole;propane
CID 176703204
(5-ethyl-1-methylindol-3-yl)methanamine
CID 82490826
3-(5-ethyl-1-methylindol-3-yl)propan-1-ol
CID 82278629
5-ethyl-1-methylindole-3-carboxylic acid
CID 82278766
4-ethyl-N-[2-(5-ethyl-1-methylindol-3-yl)ethyl]-N-methylaniline
CID 122367887
1-(5-ethyl-1-methylindol-3-yl)-2-methylpropan-1-one
CID 82278783
3-(5-ethyl-1-methylindol-3-yl)butanoic acid
CID 82278686
[1-(5-ethyl-1-methylindol-3-yl)cyclopentyl]methanamine
CID 82278342
2-[(5-ethyl-1-methylindol-3-yl)methyl]cyclopentan-1-one
CID 84635769
3-[3-(2-aminoethyl)-5-ethylindol-1-yl]propan-1-amine
CID 83948758
5-ethyl-1-methyl-3-(1,2,3,6-tetrahydropyridin-5-yl)indole
CID 176569380
(5-ethyl-1-methylindol-3-yl)-piperazin-1-ylmethanone
CID 95432972

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-3-fluoro-1-methylindole;propane?
The IUPAC name of 5-ethyl-3-fluoro-1-methylindole;propane (CID 176701533) is 5-ethyl-3-fluoro-1-methylindole;propane.
What is the SMILES notation for 5-ethyl-3-fluoro-1-methylindole;propane?
The canonical SMILES for 5-ethyl-3-fluoro-1-methylindole;propane is CCC.CCc1ccc2c(c1)c(F)cn2C.
What is the InChIKey of 5-ethyl-3-fluoro-1-methylindole;propane?
The InChIKey is LLLCZJOEGAVPCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FN.C3H8/c1-3-8-4-5-11-9(6-8)10(12)7-13(11)2;1-3-2/h4-7H,3H2,1-2H3;3H2,1-2H3.
What are the key properties of 5-ethyl-3-fluoro-1-methylindole;propane?
5-ethyl-3-fluoro-1-methylindole;propane has a molecular weight of 221.32 g/mol, XLogP of 4.30, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-3-fluoro-1-methylindole;propane is sourced from PubChem (CID 176701533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).