1-[2-(3-bromophenoxy)ethyl]-7-ethylindole

C18H18BrNO — CID 116618781

IUPAC1-[2-(3-bromophenoxy)ethyl]-7-ethylindole
SMILESCCc1cccc2ccn(CCOc3cccc(Br)c3)c12
InChIInChI=1S/C18H18BrNO/c1-2-14-5-3-6-15-9-10-20(18(14)15)11-12-21-17-8-4-7-16(19)13-17/h3-10,13H,2,11-12H2,1H3
InChIKeyPPGNXVQGYDLSCS-UHFFFAOYSA-N
MW344.25 g/mol
LogP5.05
Rot. Bonds5

About 1-[2-(3-bromophenoxy)ethyl]-7-ethylindole

1-[2-(3-bromophenoxy)ethyl]-7-ethylindole (PubChem CID 116618781) has the molecular formula C18H18BrNO and a molecular weight of 344.25 g/mol. Its IUPAC name is 1-[2-(3-bromophenoxy)ethyl]-7-ethylindole.

Molecular Properties

Compound Name1-[2-(3-bromophenoxy)ethyl]-7-ethylindole
PubChem CID116618781
Molecular FormulaC18H18BrNO
Molecular Weight344.25 g/mol
Exact Mass343.06
IUPAC Name1-[2-(3-bromophenoxy)ethyl]-7-ethylindole
SMILESCCc1cccc2ccn(CCOc3cccc(Br)c3)c12
InChIInChI=1S/C18H18BrNO/c1-2-14-5-3-6-15-9-10-20(18(14)15)11-12-21-17-8-4-7-16(19)13-17/h3-10,13H,2,11-12H2,1H3
InChIKeyPPGNXVQGYDLSCS-UHFFFAOYSA-N
XLogP5.05
TPSA14.16 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.25
LogP ≤ 55.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(3-bromophenoxy)ethyl]-5-methoxyindole
CID 116619353
[1-[2-(3-bromophenoxy)ethyl]-2-methylpyrrol-3-yl]methanamine
CID 114195969
7-ethyl-1-(3-methylsulfanylpropyl)indole
CID 116618726
1-[2-(3-bromophenoxy)ethyl]-3-ethylimidazolidine-2,4,5-trione
CID 7823968
ethyl 3-(7-ethylindol-1-yl)propanoate
CID 43365480
7-[2-(3-bromophenoxy)ethyl]-1,3-dimethylpurine-2,6-dione
CID 4808156
1-[2-(3-bromophenoxy)ethyl]pyrrole-2,5-dione
CID 82124588
7-ethyl-1-(2-piperidin-1-ylethyl)indole
CID 116618924
2-[2-(3-bromophenoxy)ethyl]isoindole-1,3-dione;ethane
CID 91468658
1-[2-(3-bromophenoxy)ethyl]-6-methylpyridin-2-one
CID 54970700
1-bromo-3-[2-(4-methoxyphenoxy)ethoxy]benzene
CID 55327692
2-(7-ethylindol-1-yl)acetic acid
CID 28602716

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-bromophenoxy)ethyl]-7-ethylindole?
The IUPAC name of 1-[2-(3-bromophenoxy)ethyl]-7-ethylindole (CID 116618781) is 1-[2-(3-bromophenoxy)ethyl]-7-ethylindole.
What is the SMILES notation for 1-[2-(3-bromophenoxy)ethyl]-7-ethylindole?
The canonical SMILES for 1-[2-(3-bromophenoxy)ethyl]-7-ethylindole is CCc1cccc2ccn(CCOc3cccc(Br)c3)c12.
What is the InChIKey of 1-[2-(3-bromophenoxy)ethyl]-7-ethylindole?
The InChIKey is PPGNXVQGYDLSCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18BrNO/c1-2-14-5-3-6-15-9-10-20(18(14)15)11-12-21-17-8-4-7-16(19)13-17/h3-10,13H,2,11-12H2,1H3.
What are the key properties of 1-[2-(3-bromophenoxy)ethyl]-7-ethylindole?
1-[2-(3-bromophenoxy)ethyl]-7-ethylindole has a molecular weight of 344.25 g/mol, XLogP of 5.05, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-bromophenoxy)ethyl]-7-ethylindole is sourced from PubChem (CID 116618781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).