[1-(4-fluorophenyl)indol-3-yl]methanamine

C15H13FN2 — CID 134714805

IUPAC[1-(4-fluorophenyl)indol-3-yl]methanamine
SMILESNCc1cn(-c2ccc(F)cc2)c2ccccc12
InChIInChI=1S/C15H13FN2/c16-12-5-7-13(8-6-12)18-10-11(9-17)14-3-1-2-4-15(14)18/h1-8,10H,9,17H2
InChIKeyOMKIJXAPDYYFCU-UHFFFAOYSA-N
MW240.28 g/mol
LogP3.23
Rot. Bonds2

About [1-(4-fluorophenyl)indol-3-yl]methanamine

[1-(4-fluorophenyl)indol-3-yl]methanamine (PubChem CID 134714805) has the molecular formula C15H13FN2 and a molecular weight of 240.28 g/mol. Its IUPAC name is [1-(4-fluorophenyl)indol-3-yl]methanamine.

Molecular Properties

Compound Name[1-(4-fluorophenyl)indol-3-yl]methanamine
PubChem CID134714805
Molecular FormulaC15H13FN2
Molecular Weight240.28 g/mol
Exact Mass240.11
IUPAC Name[1-(4-fluorophenyl)indol-3-yl]methanamine
SMILESNCc1cn(-c2ccc(F)cc2)c2ccccc12
InChIInChI=1S/C15H13FN2/c16-12-5-7-13(8-6-12)18-10-11(9-17)14-3-1-2-4-15(14)18/h1-8,10H,9,17H2
InChIKeyOMKIJXAPDYYFCU-UHFFFAOYSA-N
XLogP3.23
TPSA30.95 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.28
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [1-(4-fluorophenyl)indol-3-yl]methanamine?
The IUPAC name of [1-(4-fluorophenyl)indol-3-yl]methanamine (CID 134714805) is [1-(4-fluorophenyl)indol-3-yl]methanamine.
What is the SMILES notation for [1-(4-fluorophenyl)indol-3-yl]methanamine?
The canonical SMILES for [1-(4-fluorophenyl)indol-3-yl]methanamine is NCc1cn(-c2ccc(F)cc2)c2ccccc12.
What is the InChIKey of [1-(4-fluorophenyl)indol-3-yl]methanamine?
The InChIKey is OMKIJXAPDYYFCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN2/c16-12-5-7-13(8-6-12)18-10-11(9-17)14-3-1-2-4-15(14)18/h1-8,10H,9,17H2.
What are the key properties of [1-(4-fluorophenyl)indol-3-yl]methanamine?
[1-(4-fluorophenyl)indol-3-yl]methanamine has a molecular weight of 240.28 g/mol, XLogP of 3.23, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-fluorophenyl)indol-3-yl]methanamine is sourced from PubChem (CID 134714805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).