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

C11H13FN2 — CID 152743128

IUPAC1-(5-fluoro-3aH-indol-3-yl)propan-2-amine
SMILESCC(N)CC1=CN=C2C=CC(F)=CC12
InChIInChI=1S/C11H13FN2/c1-7(13)4-8-6-14-11-3-2-9(12)5-10(8)11/h2-3,5-7,10H,4,13H2,1H3
InChIKeyODYKJRONRZGXOH-UHFFFAOYSA-N
MW192.24 g/mol
LogP2.10
Rot. Bonds2

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

1-(5-fluoro-3aH-indol-3-yl)propan-2-amine (PubChem CID 152743128) has the molecular formula C11H13FN2 and a molecular weight of 192.24 g/mol. Its IUPAC name is 1-(5-fluoro-3aH-indol-3-yl)propan-2-amine.

Molecular Properties

Compound Name1-(5-fluoro-3aH-indol-3-yl)propan-2-amine
PubChem CID152743128
Molecular FormulaC11H13FN2
Molecular Weight192.24 g/mol
Exact Mass192.11
IUPAC Name1-(5-fluoro-3aH-indol-3-yl)propan-2-amine
SMILESCC(N)CC1=CN=C2C=CC(F)=CC12
InChIInChI=1S/C11H13FN2/c1-7(13)4-8-6-14-11-3-2-9(12)5-10(8)11/h2-3,5-7,10H,4,13H2,1H3
InChIKeyODYKJRONRZGXOH-UHFFFAOYSA-N
XLogP2.10
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.24
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-3aH-indol-3-yl)propan-2-amine?
The IUPAC name of 1-(5-fluoro-3aH-indol-3-yl)propan-2-amine (CID 152743128) is 1-(5-fluoro-3aH-indol-3-yl)propan-2-amine.
What is the SMILES notation for 1-(5-fluoro-3aH-indol-3-yl)propan-2-amine?
The canonical SMILES for 1-(5-fluoro-3aH-indol-3-yl)propan-2-amine is CC(N)CC1=CN=C2C=CC(F)=CC12.
What is the InChIKey of 1-(5-fluoro-3aH-indol-3-yl)propan-2-amine?
The InChIKey is ODYKJRONRZGXOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FN2/c1-7(13)4-8-6-14-11-3-2-9(12)5-10(8)11/h2-3,5-7,10H,4,13H2,1H3.
What are the key properties of 1-(5-fluoro-3aH-indol-3-yl)propan-2-amine?
1-(5-fluoro-3aH-indol-3-yl)propan-2-amine has a molecular weight of 192.24 g/mol, XLogP of 2.10, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-3aH-indol-3-yl)propan-2-amine is sourced from PubChem (CID 152743128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).