4-[5-[[2-(5-fluoro-1H-indol-3-yl)ethylamino]methyl]furan-2-yl]phenol

C21H19FN2O2 — CID 155512487

IUPAC4-[5-[[2-(5-fluoro-1H-indol-3-yl)ethylamino]methyl]furan-2-yl]phenol
SMILESOc1ccc(-c2ccc(CNCCc3c[nH]c4ccc(F)cc34)o2)cc1
InChIInChI=1S/C21H19FN2O2/c22-16-3-7-20-19(11-16)15(12-24-20)9-10-23-13-18-6-8-21(26-18)14-1-4-17(25)5-2-14/h1-8,11-12,23-25H,9-10,13H2
InChIKeyYKUHLXRZNYUNSP-UHFFFAOYSA-N
MW350.39 g/mol
LogP4.60
Rot. Bonds6

About 4-[5-[[2-(5-fluoro-1H-indol-3-yl)ethylamino]methyl]furan-2-yl]phenol

4-[5-[[2-(5-fluoro-1H-indol-3-yl)ethylamino]methyl]furan-2-yl]phenol (PubChem CID 155512487) has the molecular formula C21H19FN2O2 and a molecular weight of 350.39 g/mol. Its IUPAC name is 4-[5-[[2-(5-fluoro-1H-indol-3-yl)ethylamino]methyl]furan-2-yl]phenol.

Molecular Properties

Compound Name4-[5-[[2-(5-fluoro-1H-indol-3-yl)ethylamino]methyl]furan-2-yl]phenol
PubChem CID155512487
Molecular FormulaC21H19FN2O2
Molecular Weight350.39 g/mol
Exact Mass350.14
IUPAC Name4-[5-[[2-(5-fluoro-1H-indol-3-yl)ethylamino]methyl]furan-2-yl]phenol
SMILESOc1ccc(-c2ccc(CNCCc3c[nH]c4ccc(F)cc34)o2)cc1
InChIInChI=1S/C21H19FN2O2/c22-16-3-7-20-19(11-16)15(12-24-20)9-10-23-13-18-6-8-21(26-18)14-1-4-17(25)5-2-14/h1-8,11-12,23-25H,9-10,13H2
InChIKeyYKUHLXRZNYUNSP-UHFFFAOYSA-N
XLogP4.60
TPSA61.19 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.39
LogP ≤ 54.60
H-Bond Donors ≤ 53
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 4-[5-[[2-(5-fluoro-1H-indol-3-yl)ethylamino]methyl]furan-2-yl]phenol?
The IUPAC name of 4-[5-[[2-(5-fluoro-1H-indol-3-yl)ethylamino]methyl]furan-2-yl]phenol (CID 155512487) is 4-[5-[[2-(5-fluoro-1H-indol-3-yl)ethylamino]methyl]furan-2-yl]phenol.
What is the SMILES notation for 4-[5-[[2-(5-fluoro-1H-indol-3-yl)ethylamino]methyl]furan-2-yl]phenol?
The canonical SMILES for 4-[5-[[2-(5-fluoro-1H-indol-3-yl)ethylamino]methyl]furan-2-yl]phenol is Oc1ccc(-c2ccc(CNCCc3c[nH]c4ccc(F)cc34)o2)cc1.
What is the InChIKey of 4-[5-[[2-(5-fluoro-1H-indol-3-yl)ethylamino]methyl]furan-2-yl]phenol?
The InChIKey is YKUHLXRZNYUNSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FN2O2/c22-16-3-7-20-19(11-16)15(12-24-20)9-10-23-13-18-6-8-21(26-18)14-1-4-17(25)5-2-14/h1-8,11-12,23-25H,9-10,13H2.
What are the key properties of 4-[5-[[2-(5-fluoro-1H-indol-3-yl)ethylamino]methyl]furan-2-yl]phenol?
4-[5-[[2-(5-fluoro-1H-indol-3-yl)ethylamino]methyl]furan-2-yl]phenol has a molecular weight of 350.39 g/mol, XLogP of 4.60, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[[2-(5-fluoro-1H-indol-3-yl)ethylamino]methyl]furan-2-yl]phenol is sourced from PubChem (CID 155512487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).