2-(6-chloro-2H-indol-3-yl)ethanamine

C10H11ClN2 — CID 124517569

IUPAC2-(6-chloro-2H-indol-3-yl)ethanamine
SMILESNCCC1=c2ccc(Cl)cc2=NC1
InChIInChI=1S/C10H11ClN2/c11-8-1-2-9-7(3-4-12)6-13-10(9)5-8/h1-2,5H,3-4,6,12H2
InChIKeyRRSBITWQNOYUOI-UHFFFAOYSA-N
MW194.66 g/mol
LogP0.47
Rot. Bonds2

About 2-(6-chloro-2H-indol-3-yl)ethanamine

2-(6-chloro-2H-indol-3-yl)ethanamine (PubChem CID 124517569) has the molecular formula C10H11ClN2 and a molecular weight of 194.66 g/mol. Its IUPAC name is 2-(6-chloro-2H-indol-3-yl)ethanamine.

Molecular Properties

Compound Name2-(6-chloro-2H-indol-3-yl)ethanamine
PubChem CID124517569
Molecular FormulaC10H11ClN2
Molecular Weight194.66 g/mol
Exact Mass194.06
IUPAC Name2-(6-chloro-2H-indol-3-yl)ethanamine
SMILESNCCC1=c2ccc(Cl)cc2=NC1
InChIInChI=1S/C10H11ClN2/c11-8-1-2-9-7(3-4-12)6-13-10(9)5-8/h1-2,5H,3-4,6,12H2
InChIKeyRRSBITWQNOYUOI-UHFFFAOYSA-N
XLogP0.47
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.66
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(6-chloro-2H-indol-3-yl)ethanamine?
The IUPAC name of 2-(6-chloro-2H-indol-3-yl)ethanamine (CID 124517569) is 2-(6-chloro-2H-indol-3-yl)ethanamine.
What is the SMILES notation for 2-(6-chloro-2H-indol-3-yl)ethanamine?
The canonical SMILES for 2-(6-chloro-2H-indol-3-yl)ethanamine is NCCC1=c2ccc(Cl)cc2=NC1.
What is the InChIKey of 2-(6-chloro-2H-indol-3-yl)ethanamine?
The InChIKey is RRSBITWQNOYUOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN2/c11-8-1-2-9-7(3-4-12)6-13-10(9)5-8/h1-2,5H,3-4,6,12H2.
What are the key properties of 2-(6-chloro-2H-indol-3-yl)ethanamine?
2-(6-chloro-2H-indol-3-yl)ethanamine has a molecular weight of 194.66 g/mol, XLogP of 0.47, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-chloro-2H-indol-3-yl)ethanamine is sourced from PubChem (CID 124517569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).