2-(4-fluorophenyl)-3H-indol-5-amine

C14H11FN2 — CID 176970286

IUPAC2-(4-fluorophenyl)-3H-indol-5-amine
SMILESNc1ccc2c(c1)CC(c1ccc(F)cc1)=N2
InChIInChI=1S/C14H11FN2/c15-11-3-1-9(2-4-11)14-8-10-7-12(16)5-6-13(10)17-14/h1-7H,8,16H2
InChIKeyDKBXLYDIMMZFJJ-UHFFFAOYSA-N
MW226.25 g/mol
LogP3.08
Rot. Bonds1

About 2-(4-fluorophenyl)-3H-indol-5-amine

2-(4-fluorophenyl)-3H-indol-5-amine (PubChem CID 176970286) has the molecular formula C14H11FN2 and a molecular weight of 226.25 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-3H-indol-5-amine.

Molecular Properties

Compound Name2-(4-fluorophenyl)-3H-indol-5-amine
PubChem CID176970286
Molecular FormulaC14H11FN2
Molecular Weight226.25 g/mol
Exact Mass226.09
IUPAC Name2-(4-fluorophenyl)-3H-indol-5-amine
SMILESNc1ccc2c(c1)CC(c1ccc(F)cc1)=N2
InChIInChI=1S/C14H11FN2/c15-11-3-1-9(2-4-11)14-8-10-7-12(16)5-6-13(10)17-14/h1-7H,8,16H2
InChIKeyDKBXLYDIMMZFJJ-UHFFFAOYSA-N
XLogP3.08
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.25
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-3H-indol-5-amine?
The IUPAC name of 2-(4-fluorophenyl)-3H-indol-5-amine (CID 176970286) is 2-(4-fluorophenyl)-3H-indol-5-amine.
What is the SMILES notation for 2-(4-fluorophenyl)-3H-indol-5-amine?
The canonical SMILES for 2-(4-fluorophenyl)-3H-indol-5-amine is Nc1ccc2c(c1)CC(c1ccc(F)cc1)=N2.
What is the InChIKey of 2-(4-fluorophenyl)-3H-indol-5-amine?
The InChIKey is DKBXLYDIMMZFJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11FN2/c15-11-3-1-9(2-4-11)14-8-10-7-12(16)5-6-13(10)17-14/h1-7H,8,16H2.
What are the key properties of 2-(4-fluorophenyl)-3H-indol-5-amine?
2-(4-fluorophenyl)-3H-indol-5-amine has a molecular weight of 226.25 g/mol, XLogP of 3.08, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-3H-indol-5-amine is sourced from PubChem (CID 176970286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).