4-(5-fluoro-7H-indol-3-yl)butan-1-amine

C12H15FN2 — CID 68758269

IUPAC4-(5-fluoro-7H-indol-3-yl)butan-1-amine
SMILESNCCCCC1=CN=C2CC=C(F)C=C12
InChIInChI=1S/C12H15FN2/c13-10-4-5-12-11(7-10)9(8-15-12)3-1-2-6-14/h4,7-8H,1-3,5-6,14H2
InChIKeyOTRMGNCTSXLLPF-UHFFFAOYSA-N
MW206.26 g/mol
LogP2.64
Rot. Bonds4

About 4-(5-fluoro-7H-indol-3-yl)butan-1-amine

4-(5-fluoro-7H-indol-3-yl)butan-1-amine (PubChem CID 68758269) has the molecular formula C12H15FN2 and a molecular weight of 206.26 g/mol. Its IUPAC name is 4-(5-fluoro-7H-indol-3-yl)butan-1-amine.

Molecular Properties

Compound Name4-(5-fluoro-7H-indol-3-yl)butan-1-amine
PubChem CID68758269
Molecular FormulaC12H15FN2
Molecular Weight206.26 g/mol
Exact Mass206.12
IUPAC Name4-(5-fluoro-7H-indol-3-yl)butan-1-amine
SMILESNCCCCC1=CN=C2CC=C(F)C=C12
InChIInChI=1S/C12H15FN2/c13-10-4-5-12-11(7-10)9(8-15-12)3-1-2-6-14/h4,7-8H,1-3,5-6,14H2
InChIKeyOTRMGNCTSXLLPF-UHFFFAOYSA-N
XLogP2.64
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.26
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(5-fluoro-7H-indol-3-yl)butan-1-amine?
The IUPAC name of 4-(5-fluoro-7H-indol-3-yl)butan-1-amine (CID 68758269) is 4-(5-fluoro-7H-indol-3-yl)butan-1-amine.
What is the SMILES notation for 4-(5-fluoro-7H-indol-3-yl)butan-1-amine?
The canonical SMILES for 4-(5-fluoro-7H-indol-3-yl)butan-1-amine is NCCCCC1=CN=C2CC=C(F)C=C12.
What is the InChIKey of 4-(5-fluoro-7H-indol-3-yl)butan-1-amine?
The InChIKey is OTRMGNCTSXLLPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN2/c13-10-4-5-12-11(7-10)9(8-15-12)3-1-2-6-14/h4,7-8H,1-3,5-6,14H2.
What are the key properties of 4-(5-fluoro-7H-indol-3-yl)butan-1-amine?
4-(5-fluoro-7H-indol-3-yl)butan-1-amine has a molecular weight of 206.26 g/mol, XLogP of 2.64, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-fluoro-7H-indol-3-yl)butan-1-amine is sourced from PubChem (CID 68758269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).