2-(6-bromo-1H-indol-3-yl)-N-methylethanamine

C11H13BrN2 — CID 10924232

IUPAC2-(6-bromo-1H-indol-3-yl)-N-methylethanamine
SMILESCNCCc1c[nH]c2cc(Br)ccc12
InChIInChI=1S/C11H13BrN2/c1-13-5-4-8-7-14-11-6-9(12)2-3-10(8)11/h2-3,6-7,13-14H,4-5H2,1H3
InChIKeyDZAHGJRRYXTGNV-UHFFFAOYSA-N
MW253.14 g/mol
LogP2.69
Rot. Bonds3

About 2-(6-bromo-1H-indol-3-yl)-N-methylethanamine

2-(6-bromo-1H-indol-3-yl)-N-methylethanamine (PubChem CID 10924232) has the molecular formula C11H13BrN2 and a molecular weight of 253.14 g/mol. Its IUPAC name is 2-(6-bromo-1H-indol-3-yl)-N-methylethanamine.

Molecular Properties

Compound Name2-(6-bromo-1H-indol-3-yl)-N-methylethanamine
PubChem CID10924232
Molecular FormulaC11H13BrN2
Molecular Weight253.14 g/mol
Exact Mass252.03
IUPAC Name2-(6-bromo-1H-indol-3-yl)-N-methylethanamine
SMILESCNCCc1c[nH]c2cc(Br)ccc12
InChIInChI=1S/C11H13BrN2/c1-13-5-4-8-7-14-11-6-9(12)2-3-10(8)11/h2-3,6-7,13-14H,4-5H2,1H3
InChIKeyDZAHGJRRYXTGNV-UHFFFAOYSA-N
XLogP2.69
TPSA27.82 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.14
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(6-bromo-1H-indol-3-yl)-N-methylethanamine?
The IUPAC name of 2-(6-bromo-1H-indol-3-yl)-N-methylethanamine (CID 10924232) is 2-(6-bromo-1H-indol-3-yl)-N-methylethanamine.
What is the SMILES notation for 2-(6-bromo-1H-indol-3-yl)-N-methylethanamine?
The canonical SMILES for 2-(6-bromo-1H-indol-3-yl)-N-methylethanamine is CNCCc1c[nH]c2cc(Br)ccc12.
What is the InChIKey of 2-(6-bromo-1H-indol-3-yl)-N-methylethanamine?
The InChIKey is DZAHGJRRYXTGNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrN2/c1-13-5-4-8-7-14-11-6-9(12)2-3-10(8)11/h2-3,6-7,13-14H,4-5H2,1H3.
What are the key properties of 2-(6-bromo-1H-indol-3-yl)-N-methylethanamine?
2-(6-bromo-1H-indol-3-yl)-N-methylethanamine has a molecular weight of 253.14 g/mol, XLogP of 2.69, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-bromo-1H-indol-3-yl)-N-methylethanamine is sourced from PubChem (CID 10924232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).