2-[5-[1-(4-bromophenyl)indol-5-yl]pentyl-ethylamino]ethanol

C23H29BrN2O — CID 18679544

IUPAC2-[5-[1-(4-bromophenyl)indol-5-yl]pentyl-ethylamino]ethanol
SMILESCCN(CCO)CCCCCc1ccc2c(ccn2-c2ccc(Br)cc2)c1
InChIInChI=1S/C23H29BrN2O/c1-2-25(16-17-27)14-5-3-4-6-19-7-12-23-20(18-19)13-15-26(23)22-10-8-21(24)9-11-22/h7-13,15,18,27H,2-6,14,16-17H2,1H3
InChIKeyOWRIYJLNBUEDLR-UHFFFAOYSA-N
MW429.40 g/mol
LogP5.42
Rot. Bonds10

About 2-[5-[1-(4-bromophenyl)indol-5-yl]pentyl-ethylamino]ethanol

2-[5-[1-(4-bromophenyl)indol-5-yl]pentyl-ethylamino]ethanol (PubChem CID 18679544) has the molecular formula C23H29BrN2O and a molecular weight of 429.40 g/mol. Its IUPAC name is 2-[5-[1-(4-bromophenyl)indol-5-yl]pentyl-ethylamino]ethanol.

Molecular Properties

Compound Name2-[5-[1-(4-bromophenyl)indol-5-yl]pentyl-ethylamino]ethanol
PubChem CID18679544
Molecular FormulaC23H29BrN2O
Molecular Weight429.40 g/mol
Exact Mass428.15
IUPAC Name2-[5-[1-(4-bromophenyl)indol-5-yl]pentyl-ethylamino]ethanol
SMILESCCN(CCO)CCCCCc1ccc2c(ccn2-c2ccc(Br)cc2)c1
InChIInChI=1S/C23H29BrN2O/c1-2-25(16-17-27)14-5-3-4-6-19-7-12-23-20(18-19)13-15-26(23)22-10-8-21(24)9-11-22/h7-13,15,18,27H,2-6,14,16-17H2,1H3
InChIKeyOWRIYJLNBUEDLR-UHFFFAOYSA-N
XLogP5.42
TPSA28.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.40
LogP ≤ 55.42
H-Bond Donors ≤ 51
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 2-[5-[1-(4-bromophenyl)indol-5-yl]pentyl-ethylamino]ethanol?
The IUPAC name of 2-[5-[1-(4-bromophenyl)indol-5-yl]pentyl-ethylamino]ethanol (CID 18679544) is 2-[5-[1-(4-bromophenyl)indol-5-yl]pentyl-ethylamino]ethanol.
What is the SMILES notation for 2-[5-[1-(4-bromophenyl)indol-5-yl]pentyl-ethylamino]ethanol?
The canonical SMILES for 2-[5-[1-(4-bromophenyl)indol-5-yl]pentyl-ethylamino]ethanol is CCN(CCO)CCCCCc1ccc2c(ccn2-c2ccc(Br)cc2)c1.
What is the InChIKey of 2-[5-[1-(4-bromophenyl)indol-5-yl]pentyl-ethylamino]ethanol?
The InChIKey is OWRIYJLNBUEDLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29BrN2O/c1-2-25(16-17-27)14-5-3-4-6-19-7-12-23-20(18-19)13-15-26(23)22-10-8-21(24)9-11-22/h7-13,15,18,27H,2-6,14,16-17H2,1H3.
What are the key properties of 2-[5-[1-(4-bromophenyl)indol-5-yl]pentyl-ethylamino]ethanol?
2-[5-[1-(4-bromophenyl)indol-5-yl]pentyl-ethylamino]ethanol has a molecular weight of 429.40 g/mol, XLogP of 5.42, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[1-(4-bromophenyl)indol-5-yl]pentyl-ethylamino]ethanol is sourced from PubChem (CID 18679544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).