(5-fluoro-1H-indol-2-yl)methanamine

C9H9FN2 — CID 23004675

IUPAC(5-fluoro-1H-indol-2-yl)methanamine
SMILESNCc1cc2cc(F)ccc2[nH]1
InChIInChI=1S/C9H9FN2/c10-7-1-2-9-6(3-7)4-8(5-11)12-9/h1-4,12H,5,11H2
InChIKeyPJOPNLWUFQKDGJ-UHFFFAOYSA-N
MW164.18 g/mol
LogP1.77
Rot. Bonds1

About (5-fluoro-1H-indol-2-yl)methanamine

(5-fluoro-1H-indol-2-yl)methanamine (PubChem CID 23004675) has the molecular formula C9H9FN2 and a molecular weight of 164.18 g/mol. Its IUPAC name is (5-fluoro-1H-indol-2-yl)methanamine.

Molecular Properties

Compound Name(5-fluoro-1H-indol-2-yl)methanamine
PubChem CID23004675
Molecular FormulaC9H9FN2
Molecular Weight164.18 g/mol
Exact Mass164.07
IUPAC Name(5-fluoro-1H-indol-2-yl)methanamine
SMILESNCc1cc2cc(F)ccc2[nH]1
InChIInChI=1S/C9H9FN2/c10-7-1-2-9-6(3-7)4-8(5-11)12-9/h1-4,12H,5,11H2
InChIKeyPJOPNLWUFQKDGJ-UHFFFAOYSA-N
XLogP1.77
TPSA41.81 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.18
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (5-fluoro-1H-indol-2-yl)methanamine?
The IUPAC name of (5-fluoro-1H-indol-2-yl)methanamine (CID 23004675) is (5-fluoro-1H-indol-2-yl)methanamine.
What is the SMILES notation for (5-fluoro-1H-indol-2-yl)methanamine?
The canonical SMILES for (5-fluoro-1H-indol-2-yl)methanamine is NCc1cc2cc(F)ccc2[nH]1.
What is the InChIKey of (5-fluoro-1H-indol-2-yl)methanamine?
The InChIKey is PJOPNLWUFQKDGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9FN2/c10-7-1-2-9-6(3-7)4-8(5-11)12-9/h1-4,12H,5,11H2.
What are the key properties of (5-fluoro-1H-indol-2-yl)methanamine?
(5-fluoro-1H-indol-2-yl)methanamine has a molecular weight of 164.18 g/mol, XLogP of 1.77, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5-fluoro-1H-indol-2-yl)methanamine is sourced from PubChem (CID 23004675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).