triethyl-[2-(5-fluoro-1H-indol-3-yl)ethyl]azanium

C16H24FN2+ — CID 170545416

IUPACtriethyl-[2-(5-fluoro-1H-indol-3-yl)ethyl]azanium
SMILESCC[N+](CC)(CC)CCc1c[nH]c2ccc(F)cc12
InChIInChI=1S/C16H24FN2/c1-4-19(5-2,6-3)10-9-13-12-18-16-8-7-14(17)11-15(13)16/h7-8,11-12,18H,4-6,9-10H2,1-3H3/q+1
InChIKeyDTFWTLRHFMZORG-UHFFFAOYSA-N
MW263.38 g/mol
LogP3.73
Rot. Bonds6

About triethyl-[2-(5-fluoro-1H-indol-3-yl)ethyl]azanium

triethyl-[2-(5-fluoro-1H-indol-3-yl)ethyl]azanium (PubChem CID 170545416) has the molecular formula C16H24FN2+ and a molecular weight of 263.38 g/mol. Its IUPAC name is triethyl-[2-(5-fluoro-1H-indol-3-yl)ethyl]azanium.

Molecular Properties

Compound Nametriethyl-[2-(5-fluoro-1H-indol-3-yl)ethyl]azanium
PubChem CID170545416
Molecular FormulaC16H24FN2+
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Nametriethyl-[2-(5-fluoro-1H-indol-3-yl)ethyl]azanium
SMILESCC[N+](CC)(CC)CCc1c[nH]c2ccc(F)cc12
InChIInChI=1S/C16H24FN2/c1-4-19(5-2,6-3)10-9-13-12-18-16-8-7-14(17)11-15(13)16/h7-8,11-12,18H,4-6,9-10H2,1-3H3/q+1
InChIKeyDTFWTLRHFMZORG-UHFFFAOYSA-N
XLogP3.73
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

N-ethyl-N-[2-(5-fluoro-1H-indol-3-yl)ethyl]propan-1-amine
CID 156836218
(5-fluoro-1H-indol-3-yl)methanethiol
CID 117175254
N-[3-(5-fluoro-1H-indol-3-yl)propyl]pentan-1-amine
CID 141110811
N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-N-methylbutan-2-amine
CID 166158013
3-(5-fluoro-1H-indol-3-yl)propanoic acid
CID 10899794
N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-N-propylbutan-1-amine
CID 167205055
[(2S)-1-(5-fluoro-1H-indol-3-yl)propan-2-yl]azanium
CID 6921756
1-(5-fluoro-1H-indol-3-yl)butan-2-amine
CID 118713118
2-[2-(5-fluoro-1H-indol-3-yl)ethyl-methylamino]ethanol
CID 169001087
CID 58748813
CID 58748813
N-[(5-fluoro-1H-indol-3-yl)methyl]propan-2-amine
CID 83776084
methyl N-[2-(5-fluoro-1H-indol-3-yl)ethyl]carbamate
CID 110731487

Frequently Asked Questions

What is the IUPAC name of triethyl-[2-(5-fluoro-1H-indol-3-yl)ethyl]azanium?
The IUPAC name of triethyl-[2-(5-fluoro-1H-indol-3-yl)ethyl]azanium (CID 170545416) is triethyl-[2-(5-fluoro-1H-indol-3-yl)ethyl]azanium.
What is the SMILES notation for triethyl-[2-(5-fluoro-1H-indol-3-yl)ethyl]azanium?
The canonical SMILES for triethyl-[2-(5-fluoro-1H-indol-3-yl)ethyl]azanium is CC[N+](CC)(CC)CCc1c[nH]c2ccc(F)cc12.
What is the InChIKey of triethyl-[2-(5-fluoro-1H-indol-3-yl)ethyl]azanium?
The InChIKey is DTFWTLRHFMZORG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FN2/c1-4-19(5-2,6-3)10-9-13-12-18-16-8-7-14(17)11-15(13)16/h7-8,11-12,18H,4-6,9-10H2,1-3H3/q+1.
What are the key properties of triethyl-[2-(5-fluoro-1H-indol-3-yl)ethyl]azanium?
triethyl-[2-(5-fluoro-1H-indol-3-yl)ethyl]azanium has a molecular weight of 263.38 g/mol, XLogP of 3.73, 6 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for triethyl-[2-(5-fluoro-1H-indol-3-yl)ethyl]azanium is sourced from PubChem (CID 170545416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).