2-[2-(4-bromophenyl)ethyl]-1H-indole

C16H14BrN — CID 144993439

IUPAC2-[2-(4-bromophenyl)ethyl]-1H-indole
SMILESBrc1ccc(CCc2cc3ccccc3[nH]2)cc1
InChIInChI=1S/C16H14BrN/c17-14-8-5-12(6-9-14)7-10-15-11-13-3-1-2-4-16(13)18-15/h1-6,8-9,11,18H,7,10H2
InChIKeyMMEYKHYCOXFSPU-UHFFFAOYSA-N
MW300.20 g/mol
LogP4.72
Rot. Bonds3

About 2-[2-(4-bromophenyl)ethyl]-1H-indole

2-[2-(4-bromophenyl)ethyl]-1H-indole (PubChem CID 144993439) has the molecular formula C16H14BrN and a molecular weight of 300.20 g/mol. Its IUPAC name is 2-[2-(4-bromophenyl)ethyl]-1H-indole.

Molecular Properties

Compound Name2-[2-(4-bromophenyl)ethyl]-1H-indole
PubChem CID144993439
Molecular FormulaC16H14BrN
Molecular Weight300.20 g/mol
Exact Mass299.03
IUPAC Name2-[2-(4-bromophenyl)ethyl]-1H-indole
SMILESBrc1ccc(CCc2cc3ccccc3[nH]2)cc1
InChIInChI=1S/C16H14BrN/c17-14-8-5-12(6-9-14)7-10-15-11-13-3-1-2-4-16(13)18-15/h1-6,8-9,11,18H,7,10H2
InChIKeyMMEYKHYCOXFSPU-UHFFFAOYSA-N
XLogP4.72
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.20
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Related Compounds

2-(2-pyridin-4-ylethyl)-1H-indole
CID 10421101
5-bromo-2-[2-(4-chlorophenyl)ethyl]-1H-indole
CID 162299734
2-[2-[4-(2-methoxy-2-methylsulfanylethyl)phenyl]ethyl]-1H-indole
CID 57155947
2-(2-fluoroethyl)-1H-indole
CID 142633825
2-(1H-indol-2-yl)ethanamine;hydroiodide
CID 175201769
2-(3-chloropropyl)-1H-indole
CID 13271043
2-hexyl-1H-indole
CID 14299246
2-heptyl-1H-indole
CID 3719004
1-bromo-4-[2-(4-bromophenyl)ethyl]benzene
CID 12594240
6-[2-(4-bromophenyl)ethyl]-1H-pyrimidine-2,4-dione
CID 82489974
2-[2-(1H-indol-2-yl)ethyl]quinoline
CID 175422278
4-(1H-indol-2-yl)-2-methylbutan-2-amine
CID 116995131

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-bromophenyl)ethyl]-1H-indole?
The IUPAC name of 2-[2-(4-bromophenyl)ethyl]-1H-indole (CID 144993439) is 2-[2-(4-bromophenyl)ethyl]-1H-indole.
What is the SMILES notation for 2-[2-(4-bromophenyl)ethyl]-1H-indole?
The canonical SMILES for 2-[2-(4-bromophenyl)ethyl]-1H-indole is Brc1ccc(CCc2cc3ccccc3[nH]2)cc1.
What is the InChIKey of 2-[2-(4-bromophenyl)ethyl]-1H-indole?
The InChIKey is MMEYKHYCOXFSPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrN/c17-14-8-5-12(6-9-14)7-10-15-11-13-3-1-2-4-16(13)18-15/h1-6,8-9,11,18H,7,10H2.
What are the key properties of 2-[2-(4-bromophenyl)ethyl]-1H-indole?
2-[2-(4-bromophenyl)ethyl]-1H-indole has a molecular weight of 300.20 g/mol, XLogP of 4.72, 3 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-bromophenyl)ethyl]-1H-indole is sourced from PubChem (CID 144993439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).