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

C20H22F2N2O2 — CID 11382841

IUPAC3-(5-fluoro-1H-indol-3-yl)-N-[2-(5-fluoro-2-methoxyphenoxy)ethyl]propan-1-amine
SMILESCOc1ccc(F)cc1OCCNCCCc1c[nH]c2ccc(F)cc12
InChIInChI=1S/C20H22F2N2O2/c1-25-19-7-5-16(22)12-20(19)26-10-9-23-8-2-3-14-13-24-18-6-4-15(21)11-17(14)18/h4-7,11-13,23-24H,2-3,8-10H2,1H3
InChIKeyJVZKOTRMFQSGLN-UHFFFAOYSA-N
MW360.40 g/mol
LogP4.06
Rot. Bonds9

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

3-(5-fluoro-1H-indol-3-yl)-N-[2-(5-fluoro-2-methoxyphenoxy)ethyl]propan-1-amine (PubChem CID 11382841) has the molecular formula C20H22F2N2O2 and a molecular weight of 360.40 g/mol. Its IUPAC name is 3-(5-fluoro-1H-indol-3-yl)-N-[2-(5-fluoro-2-methoxyphenoxy)ethyl]propan-1-amine.

Molecular Properties

Compound Name3-(5-fluoro-1H-indol-3-yl)-N-[2-(5-fluoro-2-methoxyphenoxy)ethyl]propan-1-amine
PubChem CID11382841
Molecular FormulaC20H22F2N2O2
Molecular Weight360.40 g/mol
Exact Mass360.16
IUPAC Name3-(5-fluoro-1H-indol-3-yl)-N-[2-(5-fluoro-2-methoxyphenoxy)ethyl]propan-1-amine
SMILESCOc1ccc(F)cc1OCCNCCCc1c[nH]c2ccc(F)cc12
InChIInChI=1S/C20H22F2N2O2/c1-25-19-7-5-16(22)12-20(19)26-10-9-23-8-2-3-14-13-24-18-6-4-15(21)11-17(14)18/h4-7,11-13,23-24H,2-3,8-10H2,1H3
InChIKeyJVZKOTRMFQSGLN-UHFFFAOYSA-N
XLogP4.06
TPSA46.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.40
LogP ≤ 54.06
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-(5-fluoro-2-methoxyphenoxy)ethyl]propan-1-amine?
The IUPAC name of 3-(5-fluoro-1H-indol-3-yl)-N-[2-(5-fluoro-2-methoxyphenoxy)ethyl]propan-1-amine (CID 11382841) is 3-(5-fluoro-1H-indol-3-yl)-N-[2-(5-fluoro-2-methoxyphenoxy)ethyl]propan-1-amine.
What is the SMILES notation for 3-(5-fluoro-1H-indol-3-yl)-N-[2-(5-fluoro-2-methoxyphenoxy)ethyl]propan-1-amine?
The canonical SMILES for 3-(5-fluoro-1H-indol-3-yl)-N-[2-(5-fluoro-2-methoxyphenoxy)ethyl]propan-1-amine is COc1ccc(F)cc1OCCNCCCc1c[nH]c2ccc(F)cc12.
What is the InChIKey of 3-(5-fluoro-1H-indol-3-yl)-N-[2-(5-fluoro-2-methoxyphenoxy)ethyl]propan-1-amine?
The InChIKey is JVZKOTRMFQSGLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22F2N2O2/c1-25-19-7-5-16(22)12-20(19)26-10-9-23-8-2-3-14-13-24-18-6-4-15(21)11-17(14)18/h4-7,11-13,23-24H,2-3,8-10H2,1H3.
What are the key properties of 3-(5-fluoro-1H-indol-3-yl)-N-[2-(5-fluoro-2-methoxyphenoxy)ethyl]propan-1-amine?
3-(5-fluoro-1H-indol-3-yl)-N-[2-(5-fluoro-2-methoxyphenoxy)ethyl]propan-1-amine has a molecular weight of 360.40 g/mol, XLogP of 4.06, 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-(5-fluoro-2-methoxyphenoxy)ethyl]propan-1-amine is sourced from PubChem (CID 11382841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).