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

C19H20F2N2O2 — CID 11484778

IUPAC2-(5-fluoro-1H-indol-3-yl)-N-[2-(5-fluoro-2-methoxyphenoxy)ethyl]ethanamine
SMILESCOc1ccc(F)cc1OCCNCCc1c[nH]c2ccc(F)cc12
InChIInChI=1S/C19H20F2N2O2/c1-24-18-5-3-15(21)11-19(18)25-9-8-22-7-6-13-12-23-17-4-2-14(20)10-16(13)17/h2-5,10-12,22-23H,6-9H2,1H3
InChIKeyPNVBKHYIFLYIKZ-UHFFFAOYSA-N
MW346.38 g/mol
LogP3.67
Rot. Bonds8

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

2-(5-fluoro-1H-indol-3-yl)-N-[2-(5-fluoro-2-methoxyphenoxy)ethyl]ethanamine (PubChem CID 11484778) has the molecular formula C19H20F2N2O2 and a molecular weight of 346.38 g/mol. Its IUPAC name is 2-(5-fluoro-1H-indol-3-yl)-N-[2-(5-fluoro-2-methoxyphenoxy)ethyl]ethanamine.

Molecular Properties

Compound Name2-(5-fluoro-1H-indol-3-yl)-N-[2-(5-fluoro-2-methoxyphenoxy)ethyl]ethanamine
PubChem CID11484778
Molecular FormulaC19H20F2N2O2
Molecular Weight346.38 g/mol
Exact Mass346.15
IUPAC Name2-(5-fluoro-1H-indol-3-yl)-N-[2-(5-fluoro-2-methoxyphenoxy)ethyl]ethanamine
SMILESCOc1ccc(F)cc1OCCNCCc1c[nH]c2ccc(F)cc12
InChIInChI=1S/C19H20F2N2O2/c1-24-18-5-3-15(21)11-19(18)25-9-8-22-7-6-13-12-23-17-4-2-14(20)10-16(13)17/h2-5,10-12,22-23H,6-9H2,1H3
InChIKeyPNVBKHYIFLYIKZ-UHFFFAOYSA-N
XLogP3.67
TPSA46.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.38
LogP ≤ 53.67
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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Related Compounds

Idalopirdine
CID 21071390
Bucindolol
CID 51045
5-(Benzyloxy)tryptamine
CID 89576
Benzonitrile, 2-(2-hydroxy-3-((2-(1H-indol-3-yl)-1,1-dimethylethyl)amino)propoxy)-, hydrochloride (1:1)
CID 51044
5-Benzyloxyindole
CID 14624
N,N-Dimethyl-5-(phenylmethoxy)-1H-indole-3-methanamine
CID 73814
N-Acetyl-5-benzyloxytryptamine
CID 563605
(1S)-2-(1H-Indol-3-YL)-1-[({5-[(E)-2-pyridin-4-ylvinyl]pyridin-3-YL}oxy)methyl]ethylamine
CID 6914613
5-(Nonyloxy)tryptamine
CID 1797
5-Benzyloxy-3-(2-hydroxyethyl)indole
CID 744849
2-Propanol, 1-((1,1-dimethylethyl)amino)-3-((3-methyl-1H-indol-4-yl)oxy)-, monohydrochloride
CID 3072986
5-Propoxytryptamine
CID 10751317

Frequently Asked Questions

What is the IUPAC name of 2-(5-fluoro-1H-indol-3-yl)-N-[2-(5-fluoro-2-methoxyphenoxy)ethyl]ethanamine?
The IUPAC name of 2-(5-fluoro-1H-indol-3-yl)-N-[2-(5-fluoro-2-methoxyphenoxy)ethyl]ethanamine (CID 11484778) is 2-(5-fluoro-1H-indol-3-yl)-N-[2-(5-fluoro-2-methoxyphenoxy)ethyl]ethanamine.
What is the SMILES notation for 2-(5-fluoro-1H-indol-3-yl)-N-[2-(5-fluoro-2-methoxyphenoxy)ethyl]ethanamine?
The canonical SMILES for 2-(5-fluoro-1H-indol-3-yl)-N-[2-(5-fluoro-2-methoxyphenoxy)ethyl]ethanamine is COc1ccc(F)cc1OCCNCCc1c[nH]c2ccc(F)cc12.
What is the InChIKey of 2-(5-fluoro-1H-indol-3-yl)-N-[2-(5-fluoro-2-methoxyphenoxy)ethyl]ethanamine?
The InChIKey is PNVBKHYIFLYIKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F2N2O2/c1-24-18-5-3-15(21)11-19(18)25-9-8-22-7-6-13-12-23-17-4-2-14(20)10-16(13)17/h2-5,10-12,22-23H,6-9H2,1H3.
What are the key properties of 2-(5-fluoro-1H-indol-3-yl)-N-[2-(5-fluoro-2-methoxyphenoxy)ethyl]ethanamine?
2-(5-fluoro-1H-indol-3-yl)-N-[2-(5-fluoro-2-methoxyphenoxy)ethyl]ethanamine has a molecular weight of 346.38 g/mol, XLogP of 3.67, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-fluoro-1H-indol-3-yl)-N-[2-(5-fluoro-2-methoxyphenoxy)ethyl]ethanamine is sourced from PubChem (CID 11484778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).