1-(5-bromo-1H-indol-2-yl)-N-ethylethanamine

C12H15BrN2 — CID 65333097

IUPAC1-(5-bromo-1H-indol-2-yl)-N-ethylethanamine
SMILESCCNC(C)c1cc2cc(Br)ccc2[nH]1
InChIInChI=1S/C12H15BrN2/c1-3-14-8(2)12-7-9-6-10(13)4-5-11(9)15-12/h4-8,14-15H,3H2,1-2H3
InChIKeyWHBKQWKZBLXIPM-UHFFFAOYSA-N
MW267.17 g/mol
LogP3.60
Rot. Bonds3

About 1-(5-bromo-1H-indol-2-yl)-N-ethylethanamine

1-(5-bromo-1H-indol-2-yl)-N-ethylethanamine (PubChem CID 65333097) has the molecular formula C12H15BrN2 and a molecular weight of 267.17 g/mol. Its IUPAC name is 1-(5-bromo-1H-indol-2-yl)-N-ethylethanamine.

Molecular Properties

Compound Name1-(5-bromo-1H-indol-2-yl)-N-ethylethanamine
PubChem CID65333097
Molecular FormulaC12H15BrN2
Molecular Weight267.17 g/mol
Exact Mass266.04
IUPAC Name1-(5-bromo-1H-indol-2-yl)-N-ethylethanamine
SMILESCCNC(C)c1cc2cc(Br)ccc2[nH]1
InChIInChI=1S/C12H15BrN2/c1-3-14-8(2)12-7-9-6-10(13)4-5-11(9)15-12/h4-8,14-15H,3H2,1-2H3
InChIKeyWHBKQWKZBLXIPM-UHFFFAOYSA-N
XLogP3.60
TPSA27.82 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.17
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-1H-indol-2-yl)-N-ethylethanamine?
The IUPAC name of 1-(5-bromo-1H-indol-2-yl)-N-ethylethanamine (CID 65333097) is 1-(5-bromo-1H-indol-2-yl)-N-ethylethanamine.
What is the SMILES notation for 1-(5-bromo-1H-indol-2-yl)-N-ethylethanamine?
The canonical SMILES for 1-(5-bromo-1H-indol-2-yl)-N-ethylethanamine is CCNC(C)c1cc2cc(Br)ccc2[nH]1.
What is the InChIKey of 1-(5-bromo-1H-indol-2-yl)-N-ethylethanamine?
The InChIKey is WHBKQWKZBLXIPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrN2/c1-3-14-8(2)12-7-9-6-10(13)4-5-11(9)15-12/h4-8,14-15H,3H2,1-2H3.
What are the key properties of 1-(5-bromo-1H-indol-2-yl)-N-ethylethanamine?
1-(5-bromo-1H-indol-2-yl)-N-ethylethanamine has a molecular weight of 267.17 g/mol, XLogP of 3.60, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-1H-indol-2-yl)-N-ethylethanamine is sourced from PubChem (CID 65333097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).