[2-[3-bromo-1-[2-(4-fluorophenyl)ethyl]indol-4-yl]oxy-4-pyridinyl]methanamine

C22H19BrFN3O — CID 122516164

IUPAC[2-[3-bromo-1-[2-(4-fluorophenyl)ethyl]indol-4-yl]oxy-4-pyridinyl]methanamine
SMILESNCc1ccnc(Oc2cccc3c2c(Br)cn3CCc2ccc(F)cc2)c1
InChIInChI=1S/C22H19BrFN3O/c23-18-14-27(11-9-15-4-6-17(24)7-5-15)19-2-1-3-20(22(18)19)28-21-12-16(13-25)8-10-26-21/h1-8,10,12,14H,9,11,13,25H2
InChIKeyGKGHSIYMNBGRJE-UHFFFAOYSA-N
MW440.32 g/mol
LogP5.43
Rot. Bonds6

About [2-[3-bromo-1-[2-(4-fluorophenyl)ethyl]indol-4-yl]oxy-4-pyridinyl]methanamine

[2-[3-bromo-1-[2-(4-fluorophenyl)ethyl]indol-4-yl]oxy-4-pyridinyl]methanamine (PubChem CID 122516164) has the molecular formula C22H19BrFN3O and a molecular weight of 440.32 g/mol. Its IUPAC name is [2-[3-bromo-1-[2-(4-fluorophenyl)ethyl]indol-4-yl]oxy-4-pyridinyl]methanamine.

Molecular Properties

Compound Name[2-[3-bromo-1-[2-(4-fluorophenyl)ethyl]indol-4-yl]oxy-4-pyridinyl]methanamine
PubChem CID122516164
Molecular FormulaC22H19BrFN3O
Molecular Weight440.32 g/mol
Exact Mass439.07
IUPAC Name[2-[3-bromo-1-[2-(4-fluorophenyl)ethyl]indol-4-yl]oxy-4-pyridinyl]methanamine
SMILESNCc1ccnc(Oc2cccc3c2c(Br)cn3CCc2ccc(F)cc2)c1
InChIInChI=1S/C22H19BrFN3O/c23-18-14-27(11-9-15-4-6-17(24)7-5-15)19-2-1-3-20(22(18)19)28-21-12-16(13-25)8-10-26-21/h1-8,10,12,14H,9,11,13,25H2
InChIKeyGKGHSIYMNBGRJE-UHFFFAOYSA-N
XLogP5.43
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.32
LogP ≤ 55.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-[3-bromo-1-[2-(4-fluorophenyl)ethyl]indol-4-yl]oxy-4-pyridinyl]methanamine?
The IUPAC name of [2-[3-bromo-1-[2-(4-fluorophenyl)ethyl]indol-4-yl]oxy-4-pyridinyl]methanamine (CID 122516164) is [2-[3-bromo-1-[2-(4-fluorophenyl)ethyl]indol-4-yl]oxy-4-pyridinyl]methanamine.
What is the SMILES notation for [2-[3-bromo-1-[2-(4-fluorophenyl)ethyl]indol-4-yl]oxy-4-pyridinyl]methanamine?
The canonical SMILES for [2-[3-bromo-1-[2-(4-fluorophenyl)ethyl]indol-4-yl]oxy-4-pyridinyl]methanamine is NCc1ccnc(Oc2cccc3c2c(Br)cn3CCc2ccc(F)cc2)c1.
What is the InChIKey of [2-[3-bromo-1-[2-(4-fluorophenyl)ethyl]indol-4-yl]oxy-4-pyridinyl]methanamine?
The InChIKey is GKGHSIYMNBGRJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19BrFN3O/c23-18-14-27(11-9-15-4-6-17(24)7-5-15)19-2-1-3-20(22(18)19)28-21-12-16(13-25)8-10-26-21/h1-8,10,12,14H,9,11,13,25H2.
What are the key properties of [2-[3-bromo-1-[2-(4-fluorophenyl)ethyl]indol-4-yl]oxy-4-pyridinyl]methanamine?
[2-[3-bromo-1-[2-(4-fluorophenyl)ethyl]indol-4-yl]oxy-4-pyridinyl]methanamine has a molecular weight of 440.32 g/mol, XLogP of 5.43, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[3-bromo-1-[2-(4-fluorophenyl)ethyl]indol-4-yl]oxy-4-pyridinyl]methanamine is sourced from PubChem (CID 122516164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).