2-(5-fluoro-3a,7a-dihydro-1H-indol-3-yl)ethanamine

C10H13FN2 — CID 70300942

IUPAC2-(5-fluoro-3a,7a-dihydro-1H-indol-3-yl)ethanamine
SMILESNCCC1=CNC2C=CC(F)=CC12
InChIInChI=1S/C10H13FN2/c11-8-1-2-10-9(5-8)7(3-4-12)6-13-10/h1-2,5-6,9-10,13H,3-4,12H2
InChIKeyHGKYKXPNEGZRSK-UHFFFAOYSA-N
MW180.23 g/mol
LogP1.23
Rot. Bonds2

About 2-(5-fluoro-3a,7a-dihydro-1H-indol-3-yl)ethanamine

2-(5-fluoro-3a,7a-dihydro-1H-indol-3-yl)ethanamine (PubChem CID 70300942) has the molecular formula C10H13FN2 and a molecular weight of 180.23 g/mol. Its IUPAC name is 2-(5-fluoro-3a,7a-dihydro-1H-indol-3-yl)ethanamine.

Molecular Properties

Compound Name2-(5-fluoro-3a,7a-dihydro-1H-indol-3-yl)ethanamine
PubChem CID70300942
Molecular FormulaC10H13FN2
Molecular Weight180.23 g/mol
Exact Mass180.11
IUPAC Name2-(5-fluoro-3a,7a-dihydro-1H-indol-3-yl)ethanamine
SMILESNCCC1=CNC2C=CC(F)=CC12
InChIInChI=1S/C10H13FN2/c11-8-1-2-10-9(5-8)7(3-4-12)6-13-10/h1-2,5-6,9-10,13H,3-4,12H2
InChIKeyHGKYKXPNEGZRSK-UHFFFAOYSA-N
XLogP1.23
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.23
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(5-fluoro-3a,7a-dihydro-1H-indol-3-yl)ethanamine?
The IUPAC name of 2-(5-fluoro-3a,7a-dihydro-1H-indol-3-yl)ethanamine (CID 70300942) is 2-(5-fluoro-3a,7a-dihydro-1H-indol-3-yl)ethanamine.
What is the SMILES notation for 2-(5-fluoro-3a,7a-dihydro-1H-indol-3-yl)ethanamine?
The canonical SMILES for 2-(5-fluoro-3a,7a-dihydro-1H-indol-3-yl)ethanamine is NCCC1=CNC2C=CC(F)=CC12.
What is the InChIKey of 2-(5-fluoro-3a,7a-dihydro-1H-indol-3-yl)ethanamine?
The InChIKey is HGKYKXPNEGZRSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13FN2/c11-8-1-2-10-9(5-8)7(3-4-12)6-13-10/h1-2,5-6,9-10,13H,3-4,12H2.
What are the key properties of 2-(5-fluoro-3a,7a-dihydro-1H-indol-3-yl)ethanamine?
2-(5-fluoro-3a,7a-dihydro-1H-indol-3-yl)ethanamine has a molecular weight of 180.23 g/mol, XLogP of 1.23, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-fluoro-3a,7a-dihydro-1H-indol-3-yl)ethanamine is sourced from PubChem (CID 70300942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).