2,2-bis(6-bromo-1H-indol-3-yl)ethanamine

C18H15Br2N3 — CID 10862970

IUPAC2,2-bis(6-bromo-1H-indol-3-yl)ethanamine
SMILESNCC(c1c[nH]c2cc(Br)ccc12)c1c[nH]c2cc(Br)ccc12
InChIInChI=1S/C18H15Br2N3/c19-10-1-3-12-15(8-22-17(12)5-10)14(7-21)16-9-23-18-6-11(20)2-4-13(16)18/h1-6,8-9,14,22-23H,7,21H2
InChIKeyLDTKCEIVGIKRDS-UHFFFAOYSA-N
MW433.15 g/mol
LogP5.26
Rot. Bonds3

About 2,2-bis(6-bromo-1H-indol-3-yl)ethanamine

2,2-bis(6-bromo-1H-indol-3-yl)ethanamine (PubChem CID 10862970) has the molecular formula C18H15Br2N3 and a molecular weight of 433.15 g/mol. Its IUPAC name is 2,2-bis(6-bromo-1H-indol-3-yl)ethanamine.

Molecular Properties

Compound Name2,2-bis(6-bromo-1H-indol-3-yl)ethanamine
PubChem CID10862970
Molecular FormulaC18H15Br2N3
Molecular Weight433.15 g/mol
Exact Mass430.96
IUPAC Name2,2-bis(6-bromo-1H-indol-3-yl)ethanamine
SMILESNCC(c1c[nH]c2cc(Br)ccc12)c1c[nH]c2cc(Br)ccc12
InChIInChI=1S/C18H15Br2N3/c19-10-1-3-12-15(8-22-17(12)5-10)14(7-21)16-9-23-18-6-11(20)2-4-13(16)18/h1-6,8-9,14,22-23H,7,21H2
InChIKeyLDTKCEIVGIKRDS-UHFFFAOYSA-N
XLogP5.26
TPSA57.60 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.15
LogP ≤ 55.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,2-bis(6-bromo-1H-indol-3-yl)ethanamine?
The IUPAC name of 2,2-bis(6-bromo-1H-indol-3-yl)ethanamine (CID 10862970) is 2,2-bis(6-bromo-1H-indol-3-yl)ethanamine.
What is the SMILES notation for 2,2-bis(6-bromo-1H-indol-3-yl)ethanamine?
The canonical SMILES for 2,2-bis(6-bromo-1H-indol-3-yl)ethanamine is NCC(c1c[nH]c2cc(Br)ccc12)c1c[nH]c2cc(Br)ccc12.
What is the InChIKey of 2,2-bis(6-bromo-1H-indol-3-yl)ethanamine?
The InChIKey is LDTKCEIVGIKRDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15Br2N3/c19-10-1-3-12-15(8-22-17(12)5-10)14(7-21)16-9-23-18-6-11(20)2-4-13(16)18/h1-6,8-9,14,22-23H,7,21H2.
What are the key properties of 2,2-bis(6-bromo-1H-indol-3-yl)ethanamine?
2,2-bis(6-bromo-1H-indol-3-yl)ethanamine has a molecular weight of 433.15 g/mol, XLogP of 5.26, 3 rotatable bonds, 3 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-bis(6-bromo-1H-indol-3-yl)ethanamine is sourced from PubChem (CID 10862970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).