2-[6-fluoro-5-[2-(1-methylpyrazol-3-yl)oxyethoxy]-1H-indol-3-yl]ethanamine

C16H19FN4O2 — CID 122684766

IUPAC2-[6-fluoro-5-[2-(1-methylpyrazol-3-yl)oxyethoxy]-1H-indol-3-yl]ethanamine
SMILESCn1ccc(OCCOc2cc3c(CCN)c[nH]c3cc2F)n1
InChIInChI=1S/C16H19FN4O2/c1-21-5-3-16(20-21)23-7-6-22-15-8-12-11(2-4-18)10-19-14(12)9-13(15)17/h3,5,8-10,19H,2,4,6-7,18H2,1H3
InChIKeyYHEJZTFTDXLUEO-UHFFFAOYSA-N
MW318.35 g/mol
LogP2.00
Rot. Bonds7

About 2-[6-fluoro-5-[2-(1-methylpyrazol-3-yl)oxyethoxy]-1H-indol-3-yl]ethanamine

2-[6-fluoro-5-[2-(1-methylpyrazol-3-yl)oxyethoxy]-1H-indol-3-yl]ethanamine (PubChem CID 122684766) has the molecular formula C16H19FN4O2 and a molecular weight of 318.35 g/mol. Its IUPAC name is 2-[6-fluoro-5-[2-(1-methylpyrazol-3-yl)oxyethoxy]-1H-indol-3-yl]ethanamine.

Molecular Properties

Compound Name2-[6-fluoro-5-[2-(1-methylpyrazol-3-yl)oxyethoxy]-1H-indol-3-yl]ethanamine
PubChem CID122684766
Molecular FormulaC16H19FN4O2
Molecular Weight318.35 g/mol
Exact Mass318.15
IUPAC Name2-[6-fluoro-5-[2-(1-methylpyrazol-3-yl)oxyethoxy]-1H-indol-3-yl]ethanamine
SMILESCn1ccc(OCCOc2cc3c(CCN)c[nH]c3cc2F)n1
InChIInChI=1S/C16H19FN4O2/c1-21-5-3-16(20-21)23-7-6-22-15-8-12-11(2-4-18)10-19-14(12)9-13(15)17/h3,5,8-10,19H,2,4,6-7,18H2,1H3
InChIKeyYHEJZTFTDXLUEO-UHFFFAOYSA-N
XLogP2.00
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.35
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1,1-difluoro-5-[6-fluoro-5-[2-(1-methylpyrazol-3-yl)oxyethoxy]-1H-indol-3-yl]pentan-2-one
CID 160511925
(5S)-5-[6-chloro-5-[2-(1-methylpyrazol-3-yl)oxyethoxy]-1H-indol-3-yl]hexan-2-one
CID 158434049
2-[5-(2-fluoroethoxy)-1H-indol-3-yl]ethanamine
CID 71510843
5-[[3-(2-aminoethyl)-1H-indol-5-yl]oxy]pentan-1-amine
CID 15341730
2-(5-octoxy-1H-indol-3-yl)ethanamine
CID 10613373
2-(5-pentoxy-1H-indol-3-yl)ethanamine
CID 10848041
2-(6-fluoro-1H-indol-3-yl)ethanamine;hydron
CID 121393685
3-ethyl-6-fluoro-5-methoxy-1H-indole
CID 22356057
5,6-difluoro-3-(2-fluoroethyl)-1H-indole
CID 89153643
3-(5,6-diethoxy-1H-indol-3-yl)propan-1-amine
CID 83948710
2-[5-(6-ethoxyhexoxy)-1H-indol-3-yl]ethanamine
CID 15342178
2-(5-bromo-1H-indol-3-yl)ethanamine;methane
CID 139467696

Frequently Asked Questions

What is the IUPAC name of 2-[6-fluoro-5-[2-(1-methylpyrazol-3-yl)oxyethoxy]-1H-indol-3-yl]ethanamine?
The IUPAC name of 2-[6-fluoro-5-[2-(1-methylpyrazol-3-yl)oxyethoxy]-1H-indol-3-yl]ethanamine (CID 122684766) is 2-[6-fluoro-5-[2-(1-methylpyrazol-3-yl)oxyethoxy]-1H-indol-3-yl]ethanamine.
What is the SMILES notation for 2-[6-fluoro-5-[2-(1-methylpyrazol-3-yl)oxyethoxy]-1H-indol-3-yl]ethanamine?
The canonical SMILES for 2-[6-fluoro-5-[2-(1-methylpyrazol-3-yl)oxyethoxy]-1H-indol-3-yl]ethanamine is Cn1ccc(OCCOc2cc3c(CCN)c[nH]c3cc2F)n1.
What is the InChIKey of 2-[6-fluoro-5-[2-(1-methylpyrazol-3-yl)oxyethoxy]-1H-indol-3-yl]ethanamine?
The InChIKey is YHEJZTFTDXLUEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN4O2/c1-21-5-3-16(20-21)23-7-6-22-15-8-12-11(2-4-18)10-19-14(12)9-13(15)17/h3,5,8-10,19H,2,4,6-7,18H2,1H3.
What are the key properties of 2-[6-fluoro-5-[2-(1-methylpyrazol-3-yl)oxyethoxy]-1H-indol-3-yl]ethanamine?
2-[6-fluoro-5-[2-(1-methylpyrazol-3-yl)oxyethoxy]-1H-indol-3-yl]ethanamine has a molecular weight of 318.35 g/mol, XLogP of 2.00, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-fluoro-5-[2-(1-methylpyrazol-3-yl)oxyethoxy]-1H-indol-3-yl]ethanamine is sourced from PubChem (CID 122684766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).