2-[3-(2-aminoethyl)-6-bromo-1H-indol-2-yl]-2-(6-bromo-1H-indol-3-yl)ethanamine

C20H20Br2N4 — CID 10254385

IUPAC2-[3-(2-aminoethyl)-6-bromo-1H-indol-2-yl]-2-(6-bromo-1H-indol-3-yl)ethanamine
SMILESNCCc1c(C(CN)c2c[nH]c3cc(Br)ccc23)[nH]c2cc(Br)ccc12
InChIInChI=1S/C20H20Br2N4/c21-11-2-4-14-17(10-25-18(14)7-11)16(9-24)20-15(5-6-23)13-3-1-12(22)8-19(13)26-20/h1-4,7-8,10,16,25-26H,5-6,9,23-24H2
InChIKeyOIMJVUYYZQBQMK-UHFFFAOYSA-N
MW476.22 g/mol
LogP4.77
Rot. Bonds5

About 2-[3-(2-aminoethyl)-6-bromo-1H-indol-2-yl]-2-(6-bromo-1H-indol-3-yl)ethanamine

2-[3-(2-aminoethyl)-6-bromo-1H-indol-2-yl]-2-(6-bromo-1H-indol-3-yl)ethanamine (PubChem CID 10254385) has the molecular formula C20H20Br2N4 and a molecular weight of 476.22 g/mol. Its IUPAC name is 2-[3-(2-aminoethyl)-6-bromo-1H-indol-2-yl]-2-(6-bromo-1H-indol-3-yl)ethanamine.

Molecular Properties

Compound Name2-[3-(2-aminoethyl)-6-bromo-1H-indol-2-yl]-2-(6-bromo-1H-indol-3-yl)ethanamine
PubChem CID10254385
Molecular FormulaC20H20Br2N4
Molecular Weight476.22 g/mol
Exact Mass474.01
IUPAC Name2-[3-(2-aminoethyl)-6-bromo-1H-indol-2-yl]-2-(6-bromo-1H-indol-3-yl)ethanamine
SMILESNCCc1c(C(CN)c2c[nH]c3cc(Br)ccc23)[nH]c2cc(Br)ccc12
InChIInChI=1S/C20H20Br2N4/c21-11-2-4-14-17(10-25-18(14)7-11)16(9-24)20-15(5-6-23)13-3-1-12(22)8-19(13)26-20/h1-4,7-8,10,16,25-26H,5-6,9,23-24H2
InChIKeyOIMJVUYYZQBQMK-UHFFFAOYSA-N
XLogP4.77
TPSA83.62 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.22
LogP ≤ 54.77
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-aminoethyl)-6-bromo-1H-indol-2-yl]-2-(6-bromo-1H-indol-3-yl)ethanamine?
The IUPAC name of 2-[3-(2-aminoethyl)-6-bromo-1H-indol-2-yl]-2-(6-bromo-1H-indol-3-yl)ethanamine (CID 10254385) is 2-[3-(2-aminoethyl)-6-bromo-1H-indol-2-yl]-2-(6-bromo-1H-indol-3-yl)ethanamine.
What is the SMILES notation for 2-[3-(2-aminoethyl)-6-bromo-1H-indol-2-yl]-2-(6-bromo-1H-indol-3-yl)ethanamine?
The canonical SMILES for 2-[3-(2-aminoethyl)-6-bromo-1H-indol-2-yl]-2-(6-bromo-1H-indol-3-yl)ethanamine is NCCc1c(C(CN)c2c[nH]c3cc(Br)ccc23)[nH]c2cc(Br)ccc12.
What is the InChIKey of 2-[3-(2-aminoethyl)-6-bromo-1H-indol-2-yl]-2-(6-bromo-1H-indol-3-yl)ethanamine?
The InChIKey is OIMJVUYYZQBQMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20Br2N4/c21-11-2-4-14-17(10-25-18(14)7-11)16(9-24)20-15(5-6-23)13-3-1-12(22)8-19(13)26-20/h1-4,7-8,10,16,25-26H,5-6,9,23-24H2.
What are the key properties of 2-[3-(2-aminoethyl)-6-bromo-1H-indol-2-yl]-2-(6-bromo-1H-indol-3-yl)ethanamine?
2-[3-(2-aminoethyl)-6-bromo-1H-indol-2-yl]-2-(6-bromo-1H-indol-3-yl)ethanamine has a molecular weight of 476.22 g/mol, XLogP of 4.77, 5 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-aminoethyl)-6-bromo-1H-indol-2-yl]-2-(6-bromo-1H-indol-3-yl)ethanamine is sourced from PubChem (CID 10254385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).