3-(5-fluoro-2H-indol-3-yl)propan-1-amine

C11H13FN2 — CID 124517418

IUPAC3-(5-fluoro-2H-indol-3-yl)propan-1-amine
SMILESNCCCC1=c2cc(F)ccc2=NC1
InChIInChI=1S/C11H13FN2/c12-9-3-4-11-10(6-9)8(7-14-11)2-1-5-13/h3-4,6H,1-2,5,7,13H2
InChIKeyDYXBMFQHWMRZRC-UHFFFAOYSA-N
MW192.24 g/mol
LogP0.35
Rot. Bonds3

About 3-(5-fluoro-2H-indol-3-yl)propan-1-amine

3-(5-fluoro-2H-indol-3-yl)propan-1-amine (PubChem CID 124517418) has the molecular formula C11H13FN2 and a molecular weight of 192.24 g/mol. Its IUPAC name is 3-(5-fluoro-2H-indol-3-yl)propan-1-amine.

Molecular Properties

Compound Name3-(5-fluoro-2H-indol-3-yl)propan-1-amine
PubChem CID124517418
Molecular FormulaC11H13FN2
Molecular Weight192.24 g/mol
Exact Mass192.11
IUPAC Name3-(5-fluoro-2H-indol-3-yl)propan-1-amine
SMILESNCCCC1=c2cc(F)ccc2=NC1
InChIInChI=1S/C11H13FN2/c12-9-3-4-11-10(6-9)8(7-14-11)2-1-5-13/h3-4,6H,1-2,5,7,13H2
InChIKeyDYXBMFQHWMRZRC-UHFFFAOYSA-N
XLogP0.35
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.24
LogP ≤ 50.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(5-fluoro-2H-indol-3-yl)propan-1-amine?
The IUPAC name of 3-(5-fluoro-2H-indol-3-yl)propan-1-amine (CID 124517418) is 3-(5-fluoro-2H-indol-3-yl)propan-1-amine.
What is the SMILES notation for 3-(5-fluoro-2H-indol-3-yl)propan-1-amine?
The canonical SMILES for 3-(5-fluoro-2H-indol-3-yl)propan-1-amine is NCCCC1=c2cc(F)ccc2=NC1.
What is the InChIKey of 3-(5-fluoro-2H-indol-3-yl)propan-1-amine?
The InChIKey is DYXBMFQHWMRZRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FN2/c12-9-3-4-11-10(6-9)8(7-14-11)2-1-5-13/h3-4,6H,1-2,5,7,13H2.
What are the key properties of 3-(5-fluoro-2H-indol-3-yl)propan-1-amine?
3-(5-fluoro-2H-indol-3-yl)propan-1-amine has a molecular weight of 192.24 g/mol, XLogP of 0.35, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-fluoro-2H-indol-3-yl)propan-1-amine is sourced from PubChem (CID 124517418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).