3-(5-fluoro-1H-indol-3-yl)-N-[2-(1H-indol-4-yloxy)ethyl]propan-1-amine

C21H22FN3O — CID 11428089

IUPAC3-(5-fluoro-1H-indol-3-yl)-N-[2-(1H-indol-4-yloxy)ethyl]propan-1-amine
SMILESFc1ccc2[nH]cc(CCCNCCOc3cccc4[nH]ccc34)c2c1
InChIInChI=1S/C21H22FN3O/c22-16-6-7-20-18(13-16)15(14-25-20)3-2-9-23-11-12-26-21-5-1-4-19-17(21)8-10-24-19/h1,4-8,10,13-14,23-25H,2-3,9,11-12H2
InChIKeyPFSLDEREWKLRLJ-UHFFFAOYSA-N
MW351.43 g/mol
LogP4.39
Rot. Bonds8

About 3-(5-fluoro-1H-indol-3-yl)-N-[2-(1H-indol-4-yloxy)ethyl]propan-1-amine

3-(5-fluoro-1H-indol-3-yl)-N-[2-(1H-indol-4-yloxy)ethyl]propan-1-amine (PubChem CID 11428089) has the molecular formula C21H22FN3O and a molecular weight of 351.43 g/mol. Its IUPAC name is 3-(5-fluoro-1H-indol-3-yl)-N-[2-(1H-indol-4-yloxy)ethyl]propan-1-amine.

Molecular Properties

Compound Name3-(5-fluoro-1H-indol-3-yl)-N-[2-(1H-indol-4-yloxy)ethyl]propan-1-amine
PubChem CID11428089
Molecular FormulaC21H22FN3O
Molecular Weight351.43 g/mol
Exact Mass351.17
IUPAC Name3-(5-fluoro-1H-indol-3-yl)-N-[2-(1H-indol-4-yloxy)ethyl]propan-1-amine
SMILESFc1ccc2[nH]cc(CCCNCCOc3cccc4[nH]ccc34)c2c1
InChIInChI=1S/C21H22FN3O/c22-16-6-7-20-18(13-16)15(14-25-20)3-2-9-23-11-12-26-21-5-1-4-19-17(21)8-10-24-19/h1,4-8,10,13-14,23-25H,2-3,9,11-12H2
InChIKeyPFSLDEREWKLRLJ-UHFFFAOYSA-N
XLogP4.39
TPSA52.84 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.43
LogP ≤ 54.39
H-Bond Donors ≤ 53
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 3-(5-fluoro-1H-indol-3-yl)-N-[2-(1H-indol-4-yloxy)ethyl]propan-1-amine?
The IUPAC name of 3-(5-fluoro-1H-indol-3-yl)-N-[2-(1H-indol-4-yloxy)ethyl]propan-1-amine (CID 11428089) is 3-(5-fluoro-1H-indol-3-yl)-N-[2-(1H-indol-4-yloxy)ethyl]propan-1-amine.
What is the SMILES notation for 3-(5-fluoro-1H-indol-3-yl)-N-[2-(1H-indol-4-yloxy)ethyl]propan-1-amine?
The canonical SMILES for 3-(5-fluoro-1H-indol-3-yl)-N-[2-(1H-indol-4-yloxy)ethyl]propan-1-amine is Fc1ccc2[nH]cc(CCCNCCOc3cccc4[nH]ccc34)c2c1.
What is the InChIKey of 3-(5-fluoro-1H-indol-3-yl)-N-[2-(1H-indol-4-yloxy)ethyl]propan-1-amine?
The InChIKey is PFSLDEREWKLRLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22FN3O/c22-16-6-7-20-18(13-16)15(14-25-20)3-2-9-23-11-12-26-21-5-1-4-19-17(21)8-10-24-19/h1,4-8,10,13-14,23-25H,2-3,9,11-12H2.
What are the key properties of 3-(5-fluoro-1H-indol-3-yl)-N-[2-(1H-indol-4-yloxy)ethyl]propan-1-amine?
3-(5-fluoro-1H-indol-3-yl)-N-[2-(1H-indol-4-yloxy)ethyl]propan-1-amine has a molecular weight of 351.43 g/mol, XLogP of 4.39, 8 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-fluoro-1H-indol-3-yl)-N-[2-(1H-indol-4-yloxy)ethyl]propan-1-amine is sourced from PubChem (CID 11428089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).