4-(6-fluoro-1-methylindol-3-yl)butan-2-amine

C13H17FN2 — CID 82494112

IUPAC4-(6-fluoro-1-methylindol-3-yl)butan-2-amine
SMILESCC(N)CCc1cn(C)c2cc(F)ccc12
InChIInChI=1S/C13H17FN2/c1-9(15)3-4-10-8-16(2)13-7-11(14)5-6-12(10)13/h5-9H,3-4,15H2,1-2H3
InChIKeyOZOZAHBKDJEAML-UHFFFAOYSA-N
MW220.29 g/mol
LogP2.60
Rot. Bonds3

About 4-(6-fluoro-1-methylindol-3-yl)butan-2-amine

4-(6-fluoro-1-methylindol-3-yl)butan-2-amine (PubChem CID 82494112) has the molecular formula C13H17FN2 and a molecular weight of 220.29 g/mol. Its IUPAC name is 4-(6-fluoro-1-methylindol-3-yl)butan-2-amine.

Molecular Properties

Compound Name4-(6-fluoro-1-methylindol-3-yl)butan-2-amine
PubChem CID82494112
Molecular FormulaC13H17FN2
Molecular Weight220.29 g/mol
Exact Mass220.14
IUPAC Name4-(6-fluoro-1-methylindol-3-yl)butan-2-amine
SMILESCC(N)CCc1cn(C)c2cc(F)ccc12
InChIInChI=1S/C13H17FN2/c1-9(15)3-4-10-8-16(2)13-7-11(14)5-6-12(10)13/h5-9H,3-4,15H2,1-2H3
InChIKeyOZOZAHBKDJEAML-UHFFFAOYSA-N
XLogP2.60
TPSA30.95 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.29
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(6-fluoro-1-methylindol-3-yl)butan-2-amine?
The IUPAC name of 4-(6-fluoro-1-methylindol-3-yl)butan-2-amine (CID 82494112) is 4-(6-fluoro-1-methylindol-3-yl)butan-2-amine.
What is the SMILES notation for 4-(6-fluoro-1-methylindol-3-yl)butan-2-amine?
The canonical SMILES for 4-(6-fluoro-1-methylindol-3-yl)butan-2-amine is CC(N)CCc1cn(C)c2cc(F)ccc12.
What is the InChIKey of 4-(6-fluoro-1-methylindol-3-yl)butan-2-amine?
The InChIKey is OZOZAHBKDJEAML-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2/c1-9(15)3-4-10-8-16(2)13-7-11(14)5-6-12(10)13/h5-9H,3-4,15H2,1-2H3.
What are the key properties of 4-(6-fluoro-1-methylindol-3-yl)butan-2-amine?
4-(6-fluoro-1-methylindol-3-yl)butan-2-amine has a molecular weight of 220.29 g/mol, XLogP of 2.60, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-fluoro-1-methylindol-3-yl)butan-2-amine is sourced from PubChem (CID 82494112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).