1-(7-fluoro-8-methoxyindolizin-1-yl)butan-2-amine

C13H17FN2O — CID 169203117

IUPAC1-(7-fluoro-8-methoxyindolizin-1-yl)butan-2-amine
SMILESCCC(N)Cc1ccn2ccc(F)c(OC)c12
InChIInChI=1S/C13H17FN2O/c1-3-10(15)8-9-4-6-16-7-5-11(14)13(17-2)12(9)16/h4-7,10H,3,8,15H2,1-2H3
InChIKeyGWPSKLKTOMSTKV-UHFFFAOYSA-N
MW236.29 g/mol
LogP2.37
Rot. Bonds4

About 1-(7-fluoro-8-methoxyindolizin-1-yl)butan-2-amine

1-(7-fluoro-8-methoxyindolizin-1-yl)butan-2-amine (PubChem CID 169203117) has the molecular formula C13H17FN2O and a molecular weight of 236.29 g/mol. Its IUPAC name is 1-(7-fluoro-8-methoxyindolizin-1-yl)butan-2-amine.

Molecular Properties

Compound Name1-(7-fluoro-8-methoxyindolizin-1-yl)butan-2-amine
PubChem CID169203117
Molecular FormulaC13H17FN2O
Molecular Weight236.29 g/mol
Exact Mass236.13
IUPAC Name1-(7-fluoro-8-methoxyindolizin-1-yl)butan-2-amine
SMILESCCC(N)Cc1ccn2ccc(F)c(OC)c12
InChIInChI=1S/C13H17FN2O/c1-3-10(15)8-9-4-6-16-7-5-11(14)13(17-2)12(9)16/h4-7,10H,3,8,15H2,1-2H3
InChIKeyGWPSKLKTOMSTKV-UHFFFAOYSA-N
XLogP2.37
TPSA39.66 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.29
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(7-fluoro-8-methoxyindolizin-1-yl)butan-2-amine?
The IUPAC name of 1-(7-fluoro-8-methoxyindolizin-1-yl)butan-2-amine (CID 169203117) is 1-(7-fluoro-8-methoxyindolizin-1-yl)butan-2-amine.
What is the SMILES notation for 1-(7-fluoro-8-methoxyindolizin-1-yl)butan-2-amine?
The canonical SMILES for 1-(7-fluoro-8-methoxyindolizin-1-yl)butan-2-amine is CCC(N)Cc1ccn2ccc(F)c(OC)c12.
What is the InChIKey of 1-(7-fluoro-8-methoxyindolizin-1-yl)butan-2-amine?
The InChIKey is GWPSKLKTOMSTKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2O/c1-3-10(15)8-9-4-6-16-7-5-11(14)13(17-2)12(9)16/h4-7,10H,3,8,15H2,1-2H3.
What are the key properties of 1-(7-fluoro-8-methoxyindolizin-1-yl)butan-2-amine?
1-(7-fluoro-8-methoxyindolizin-1-yl)butan-2-amine has a molecular weight of 236.29 g/mol, XLogP of 2.37, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-fluoro-8-methoxyindolizin-1-yl)butan-2-amine is sourced from PubChem (CID 169203117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).