2-(6-fluoro-1H-indol-3-yl)ethanamine

C10H11FN2 — CID 854024

IUPAC2-(6-fluoro-1H-indol-3-yl)ethanamine
SMILESNCCc1c[nH]c2cc(F)ccc12
InChIInChI=1S/C10H11FN2/c11-8-1-2-9-7(3-4-12)6-13-10(9)5-8/h1-2,5-6,13H,3-4,12H2
InChIKeyBQTOKMYKZPCPRW-UHFFFAOYSA-N
MW178.21 g/mol
LogP1.81
Rot. Bonds2

About 2-(6-fluoro-1H-indol-3-yl)ethanamine

2-(6-fluoro-1H-indol-3-yl)ethanamine (PubChem CID 854024) has the molecular formula C10H11FN2 and a molecular weight of 178.21 g/mol. Its IUPAC name is 2-(6-fluoro-1H-indol-3-yl)ethanamine.

Molecular Properties

Compound Name2-(6-fluoro-1H-indol-3-yl)ethanamine
PubChem CID854024
Molecular FormulaC10H11FN2
Molecular Weight178.21 g/mol
Exact Mass178.09
IUPAC Name2-(6-fluoro-1H-indol-3-yl)ethanamine
SMILESNCCc1c[nH]c2cc(F)ccc12
InChIInChI=1S/C10H11FN2/c11-8-1-2-9-7(3-4-12)6-13-10(9)5-8/h1-2,5-6,13H,3-4,12H2
InChIKeyBQTOKMYKZPCPRW-UHFFFAOYSA-N
XLogP1.81
TPSA41.81 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.21
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(6-fluoro-1H-indol-3-yl)ethanamine?
The IUPAC name of 2-(6-fluoro-1H-indol-3-yl)ethanamine (CID 854024) is 2-(6-fluoro-1H-indol-3-yl)ethanamine.
What is the SMILES notation for 2-(6-fluoro-1H-indol-3-yl)ethanamine?
The canonical SMILES for 2-(6-fluoro-1H-indol-3-yl)ethanamine is NCCc1c[nH]c2cc(F)ccc12.
What is the InChIKey of 2-(6-fluoro-1H-indol-3-yl)ethanamine?
The InChIKey is BQTOKMYKZPCPRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FN2/c11-8-1-2-9-7(3-4-12)6-13-10(9)5-8/h1-2,5-6,13H,3-4,12H2.
What are the key properties of 2-(6-fluoro-1H-indol-3-yl)ethanamine?
2-(6-fluoro-1H-indol-3-yl)ethanamine has a molecular weight of 178.21 g/mol, XLogP of 1.81, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-fluoro-1H-indol-3-yl)ethanamine is sourced from PubChem (CID 854024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).