2-(6-fluoro-1-propylindol-3-yl)ethanamine

C13H17FN2 — CID 54594691

IUPAC2-(6-fluoro-1-propylindol-3-yl)ethanamine
SMILESCCCn1cc(CCN)c2ccc(F)cc21
InChIInChI=1S/C13H17FN2/c1-2-7-16-9-10(5-6-15)12-4-3-11(14)8-13(12)16/h3-4,8-9H,2,5-7,15H2,1H3
InChIKeyLMFHKTUDZPLDIQ-UHFFFAOYSA-N
MW220.29 g/mol
LogP2.69
Rot. Bonds4

About 2-(6-fluoro-1-propylindol-3-yl)ethanamine

2-(6-fluoro-1-propylindol-3-yl)ethanamine (PubChem CID 54594691) has the molecular formula C13H17FN2 and a molecular weight of 220.29 g/mol. Its IUPAC name is 2-(6-fluoro-1-propylindol-3-yl)ethanamine.

Molecular Properties

Compound Name2-(6-fluoro-1-propylindol-3-yl)ethanamine
PubChem CID54594691
Molecular FormulaC13H17FN2
Molecular Weight220.29 g/mol
Exact Mass220.14
IUPAC Name2-(6-fluoro-1-propylindol-3-yl)ethanamine
SMILESCCCn1cc(CCN)c2ccc(F)cc21
InChIInChI=1S/C13H17FN2/c1-2-7-16-9-10(5-6-15)12-4-3-11(14)8-13(12)16/h3-4,8-9H,2,5-7,15H2,1H3
InChIKeyLMFHKTUDZPLDIQ-UHFFFAOYSA-N
XLogP2.69
TPSA30.95 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.29
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(6-fluoro-1-propylindol-3-yl)ethanamine?
The IUPAC name of 2-(6-fluoro-1-propylindol-3-yl)ethanamine (CID 54594691) is 2-(6-fluoro-1-propylindol-3-yl)ethanamine.
What is the SMILES notation for 2-(6-fluoro-1-propylindol-3-yl)ethanamine?
The canonical SMILES for 2-(6-fluoro-1-propylindol-3-yl)ethanamine is CCCn1cc(CCN)c2ccc(F)cc21.
What is the InChIKey of 2-(6-fluoro-1-propylindol-3-yl)ethanamine?
The InChIKey is LMFHKTUDZPLDIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2/c1-2-7-16-9-10(5-6-15)12-4-3-11(14)8-13(12)16/h3-4,8-9H,2,5-7,15H2,1H3.
What are the key properties of 2-(6-fluoro-1-propylindol-3-yl)ethanamine?
2-(6-fluoro-1-propylindol-3-yl)ethanamine has a molecular weight of 220.29 g/mol, XLogP of 2.69, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-fluoro-1-propylindol-3-yl)ethanamine is sourced from PubChem (CID 54594691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).