1-(4-fluoro-1H-indol-5-yl)propan-2-amine

C11H13FN2 — CID 117283015

IUPAC1-(4-fluoro-1H-indol-5-yl)propan-2-amine
SMILESCC(N)Cc1ccc2[nH]ccc2c1F
InChIInChI=1S/C11H13FN2/c1-7(13)6-8-2-3-10-9(11(8)12)4-5-14-10/h2-5,7,14H,6,13H2,1H3
InChIKeyXATWPJYLIHSUDC-UHFFFAOYSA-N
MW192.24 g/mol
LogP2.20
Rot. Bonds2

About 1-(4-fluoro-1H-indol-5-yl)propan-2-amine

1-(4-fluoro-1H-indol-5-yl)propan-2-amine (PubChem CID 117283015) has the molecular formula C11H13FN2 and a molecular weight of 192.24 g/mol. Its IUPAC name is 1-(4-fluoro-1H-indol-5-yl)propan-2-amine.

Molecular Properties

Compound Name1-(4-fluoro-1H-indol-5-yl)propan-2-amine
PubChem CID117283015
Molecular FormulaC11H13FN2
Molecular Weight192.24 g/mol
Exact Mass192.11
IUPAC Name1-(4-fluoro-1H-indol-5-yl)propan-2-amine
SMILESCC(N)Cc1ccc2[nH]ccc2c1F
InChIInChI=1S/C11H13FN2/c1-7(13)6-8-2-3-10-9(11(8)12)4-5-14-10/h2-5,7,14H,6,13H2,1H3
InChIKeyXATWPJYLIHSUDC-UHFFFAOYSA-N
XLogP2.20
TPSA41.81 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.24
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoro-1H-indol-5-yl)propan-2-amine?
The IUPAC name of 1-(4-fluoro-1H-indol-5-yl)propan-2-amine (CID 117283015) is 1-(4-fluoro-1H-indol-5-yl)propan-2-amine.
What is the SMILES notation for 1-(4-fluoro-1H-indol-5-yl)propan-2-amine?
The canonical SMILES for 1-(4-fluoro-1H-indol-5-yl)propan-2-amine is CC(N)Cc1ccc2[nH]ccc2c1F.
What is the InChIKey of 1-(4-fluoro-1H-indol-5-yl)propan-2-amine?
The InChIKey is XATWPJYLIHSUDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FN2/c1-7(13)6-8-2-3-10-9(11(8)12)4-5-14-10/h2-5,7,14H,6,13H2,1H3.
What are the key properties of 1-(4-fluoro-1H-indol-5-yl)propan-2-amine?
1-(4-fluoro-1H-indol-5-yl)propan-2-amine has a molecular weight of 192.24 g/mol, XLogP of 2.20, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluoro-1H-indol-5-yl)propan-2-amine is sourced from PubChem (CID 117283015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).