[(2S)-1-(5-fluoro-1H-indol-3-yl)propan-2-yl]azanium

C11H14FN2+ — CID 6921756

IUPAC[(2S)-1-(5-fluoro-1H-indol-3-yl)propan-2-yl]azanium
SMILESC[C@H]([NH3+])Cc1c[nH]c2ccc(F)cc12
InChIInChI=1S/C11H13FN2/c1-7(13)4-8-6-14-11-3-2-9(12)5-10(8)11/h2-3,5-7,14H,4,13H2,1H3/p+1/t7-/m0/s1
InChIKeyCTGFDWBZMCPVED-ZETCQYMHSA-O
MW193.25 g/mol
LogP1.48
Rot. Bonds2

About [(2S)-1-(5-fluoro-1H-indol-3-yl)propan-2-yl]azanium

[(2S)-1-(5-fluoro-1H-indol-3-yl)propan-2-yl]azanium (PubChem CID 6921756) has the molecular formula C11H14FN2+ and a molecular weight of 193.25 g/mol. Its IUPAC name is [(2S)-1-(5-fluoro-1H-indol-3-yl)propan-2-yl]azanium.

Molecular Properties

Compound Name[(2S)-1-(5-fluoro-1H-indol-3-yl)propan-2-yl]azanium
PubChem CID6921756
Molecular FormulaC11H14FN2+
Molecular Weight193.25 g/mol
Exact Mass193.11
IUPAC Name[(2S)-1-(5-fluoro-1H-indol-3-yl)propan-2-yl]azanium
SMILESC[C@H]([NH3+])Cc1c[nH]c2ccc(F)cc12
InChIInChI=1S/C11H13FN2/c1-7(13)4-8-6-14-11-3-2-9(12)5-10(8)11/h2-3,5-7,14H,4,13H2,1H3/p+1/t7-/m0/s1
InChIKeyCTGFDWBZMCPVED-ZETCQYMHSA-O
XLogP1.48
TPSA43.43 Ų
H-Bond Donors2
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 100

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Related Compounds

CID 58748813
CID 58748813
1-(5-fluoro-1H-indol-3-yl)-N-methylpropan-2-amine
CID 117195576
1-(5-fluoro-1H-indol-3-yl)butan-2-amine
CID 118713118
N-[(5-fluoro-1H-indol-3-yl)methyl]propan-2-amine
CID 83776084
(5-fluoro-1H-indol-3-yl)methanethiol
CID 117175254
3-[1-(5-fluoro-1H-indol-3-yl)propan-2-ylamino]-2-methylpropanoic acid
CID 135267291
2-(5-fluoro-1H-indol-3-yl)-N-propan-2-ylacetamide
CID 110700223
(2S)-2-amino-3-(5-fluoro-1H-indol-3-yl)propanoic acid;hydrate
CID 24721259
N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-N-methylbutan-2-amine
CID 166158013
N-[(2R)-1-(5-fluoro-1H-indol-3-yl)propan-2-yl]-2-methyl-3-methylidenepentan-1-amine
CID 135277087
triethyl-[2-(5-fluoro-1H-indol-3-yl)ethyl]azanium
CID 170545416
2-amino-N-[1-(5-fluoro-1H-indol-3-yl)propan-2-yl]-3,3-dimethylbutanamide
CID 166262078

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-(5-fluoro-1H-indol-3-yl)propan-2-yl]azanium?
The IUPAC name of [(2S)-1-(5-fluoro-1H-indol-3-yl)propan-2-yl]azanium (CID 6921756) is [(2S)-1-(5-fluoro-1H-indol-3-yl)propan-2-yl]azanium.
What is the SMILES notation for [(2S)-1-(5-fluoro-1H-indol-3-yl)propan-2-yl]azanium?
The canonical SMILES for [(2S)-1-(5-fluoro-1H-indol-3-yl)propan-2-yl]azanium is C[C@H]([NH3+])Cc1c[nH]c2ccc(F)cc12.
What is the InChIKey of [(2S)-1-(5-fluoro-1H-indol-3-yl)propan-2-yl]azanium?
The InChIKey is CTGFDWBZMCPVED-ZETCQYMHSA-O. The full InChI is InChI=1S/C11H13FN2/c1-7(13)4-8-6-14-11-3-2-9(12)5-10(8)11/h2-3,5-7,14H,4,13H2,1H3/p+1/t7-/m0/s1.
What are the key properties of [(2S)-1-(5-fluoro-1H-indol-3-yl)propan-2-yl]azanium?
[(2S)-1-(5-fluoro-1H-indol-3-yl)propan-2-yl]azanium has a molecular weight of 193.25 g/mol, XLogP of 1.48, 2 rotatable bonds, 2 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-(5-fluoro-1H-indol-3-yl)propan-2-yl]azanium is sourced from PubChem (CID 6921756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).