1-(6-bromo-1-methylindol-2-yl)-N-methylethanamine

C12H15BrN2 — CID 84640411

IUPAC1-(6-bromo-1-methylindol-2-yl)-N-methylethanamine
SMILESCNC(C)c1cc2ccc(Br)cc2n1C
InChIInChI=1S/C12H15BrN2/c1-8(14-2)11-6-9-4-5-10(13)7-12(9)15(11)3/h4-8,14H,1-3H3
InChIKeyYDUOLIKBAYHJTF-UHFFFAOYSA-N
MW267.17 g/mol
LogP3.22
Rot. Bonds2

About 1-(6-bromo-1-methylindol-2-yl)-N-methylethanamine

1-(6-bromo-1-methylindol-2-yl)-N-methylethanamine (PubChem CID 84640411) has the molecular formula C12H15BrN2 and a molecular weight of 267.17 g/mol. Its IUPAC name is 1-(6-bromo-1-methylindol-2-yl)-N-methylethanamine.

Molecular Properties

Compound Name1-(6-bromo-1-methylindol-2-yl)-N-methylethanamine
PubChem CID84640411
Molecular FormulaC12H15BrN2
Molecular Weight267.17 g/mol
Exact Mass266.04
IUPAC Name1-(6-bromo-1-methylindol-2-yl)-N-methylethanamine
SMILESCNC(C)c1cc2ccc(Br)cc2n1C
InChIInChI=1S/C12H15BrN2/c1-8(14-2)11-6-9-4-5-10(13)7-12(9)15(11)3/h4-8,14H,1-3H3
InChIKeyYDUOLIKBAYHJTF-UHFFFAOYSA-N
XLogP3.22
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.17
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(6-bromo-1-methylindol-2-yl)-N-methylethanamine?
The IUPAC name of 1-(6-bromo-1-methylindol-2-yl)-N-methylethanamine (CID 84640411) is 1-(6-bromo-1-methylindol-2-yl)-N-methylethanamine.
What is the SMILES notation for 1-(6-bromo-1-methylindol-2-yl)-N-methylethanamine?
The canonical SMILES for 1-(6-bromo-1-methylindol-2-yl)-N-methylethanamine is CNC(C)c1cc2ccc(Br)cc2n1C.
What is the InChIKey of 1-(6-bromo-1-methylindol-2-yl)-N-methylethanamine?
The InChIKey is YDUOLIKBAYHJTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrN2/c1-8(14-2)11-6-9-4-5-10(13)7-12(9)15(11)3/h4-8,14H,1-3H3.
What are the key properties of 1-(6-bromo-1-methylindol-2-yl)-N-methylethanamine?
1-(6-bromo-1-methylindol-2-yl)-N-methylethanamine has a molecular weight of 267.17 g/mol, XLogP of 3.22, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-bromo-1-methylindol-2-yl)-N-methylethanamine is sourced from PubChem (CID 84640411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).