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

C20H23FN2O2 — CID 11221557

IUPAC3-(5-fluoro-1H-indol-3-yl)-N-[2-(2-methoxyphenoxy)ethyl]propan-1-amine
SMILESCOc1ccccc1OCCNCCCc1c[nH]c2ccc(F)cc12
InChIInChI=1S/C20H23FN2O2/c1-24-19-6-2-3-7-20(19)25-12-11-22-10-4-5-15-14-23-18-9-8-16(21)13-17(15)18/h2-3,6-9,13-14,22-23H,4-5,10-12H2,1H3
InChIKeyZYYXVOLNZWMYHV-UHFFFAOYSA-N
MW342.41 g/mol
LogP3.92
Rot. Bonds9

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

3-(5-fluoro-1H-indol-3-yl)-N-[2-(2-methoxyphenoxy)ethyl]propan-1-amine (PubChem CID 11221557) has the molecular formula C20H23FN2O2 and a molecular weight of 342.41 g/mol. Its IUPAC name is 3-(5-fluoro-1H-indol-3-yl)-N-[2-(2-methoxyphenoxy)ethyl]propan-1-amine.

Molecular Properties

Compound Name3-(5-fluoro-1H-indol-3-yl)-N-[2-(2-methoxyphenoxy)ethyl]propan-1-amine
PubChem CID11221557
Molecular FormulaC20H23FN2O2
Molecular Weight342.41 g/mol
Exact Mass342.17
IUPAC Name3-(5-fluoro-1H-indol-3-yl)-N-[2-(2-methoxyphenoxy)ethyl]propan-1-amine
SMILESCOc1ccccc1OCCNCCCc1c[nH]c2ccc(F)cc12
InChIInChI=1S/C20H23FN2O2/c1-24-19-6-2-3-7-20(19)25-12-11-22-10-4-5-15-14-23-18-9-8-16(21)13-17(15)18/h2-3,6-9,13-14,22-23H,4-5,10-12H2,1H3
InChIKeyZYYXVOLNZWMYHV-UHFFFAOYSA-N
XLogP3.92
TPSA46.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.41
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-(2-methoxyphenoxy)ethyl]propan-1-amine?
The IUPAC name of 3-(5-fluoro-1H-indol-3-yl)-N-[2-(2-methoxyphenoxy)ethyl]propan-1-amine (CID 11221557) is 3-(5-fluoro-1H-indol-3-yl)-N-[2-(2-methoxyphenoxy)ethyl]propan-1-amine.
What is the SMILES notation for 3-(5-fluoro-1H-indol-3-yl)-N-[2-(2-methoxyphenoxy)ethyl]propan-1-amine?
The canonical SMILES for 3-(5-fluoro-1H-indol-3-yl)-N-[2-(2-methoxyphenoxy)ethyl]propan-1-amine is COc1ccccc1OCCNCCCc1c[nH]c2ccc(F)cc12.
What is the InChIKey of 3-(5-fluoro-1H-indol-3-yl)-N-[2-(2-methoxyphenoxy)ethyl]propan-1-amine?
The InChIKey is ZYYXVOLNZWMYHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN2O2/c1-24-19-6-2-3-7-20(19)25-12-11-22-10-4-5-15-14-23-18-9-8-16(21)13-17(15)18/h2-3,6-9,13-14,22-23H,4-5,10-12H2,1H3.
What are the key properties of 3-(5-fluoro-1H-indol-3-yl)-N-[2-(2-methoxyphenoxy)ethyl]propan-1-amine?
3-(5-fluoro-1H-indol-3-yl)-N-[2-(2-methoxyphenoxy)ethyl]propan-1-amine has a molecular weight of 342.41 g/mol, XLogP of 3.92, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-fluoro-1H-indol-3-yl)-N-[2-(2-methoxyphenoxy)ethyl]propan-1-amine is sourced from PubChem (CID 11221557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).