2-(3-bromo-1-methylindol-5-yl)-N-methylethanamine

C12H15BrN2 — CID 83902666

IUPAC2-(3-bromo-1-methylindol-5-yl)-N-methylethanamine
SMILESCNCCc1ccc2c(c1)c(Br)cn2C
InChIInChI=1S/C12H15BrN2/c1-14-6-5-9-3-4-12-10(7-9)11(13)8-15(12)2/h3-4,7-8,14H,5-6H2,1-2H3
InChIKeyUBIAINVTMVGCQP-UHFFFAOYSA-N
MW267.17 g/mol
LogP2.70
Rot. Bonds3

About 2-(3-bromo-1-methylindol-5-yl)-N-methylethanamine

2-(3-bromo-1-methylindol-5-yl)-N-methylethanamine (PubChem CID 83902666) has the molecular formula C12H15BrN2 and a molecular weight of 267.17 g/mol. Its IUPAC name is 2-(3-bromo-1-methylindol-5-yl)-N-methylethanamine.

Molecular Properties

Compound Name2-(3-bromo-1-methylindol-5-yl)-N-methylethanamine
PubChem CID83902666
Molecular FormulaC12H15BrN2
Molecular Weight267.17 g/mol
Exact Mass266.04
IUPAC Name2-(3-bromo-1-methylindol-5-yl)-N-methylethanamine
SMILESCNCCc1ccc2c(c1)c(Br)cn2C
InChIInChI=1S/C12H15BrN2/c1-14-6-5-9-3-4-12-10(7-9)11(13)8-15(12)2/h3-4,7-8,14H,5-6H2,1-2H3
InChIKeyUBIAINVTMVGCQP-UHFFFAOYSA-N
XLogP2.70
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.17
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(1,3-dimethylindol-6-yl)-N-methylethanamine
CID 117205026
2-[1-methyl-3-[2-(methylamino)ethyl]indol-5-yl]ethanesulfonamide
CID 67930893
1-(3-bromo-1-methylindol-6-yl)-N-methylmethanamine
CID 83900734
3-bromo-5-methoxy-1-methylindole
CID 67003649
3-bromo-1-methylindole
CID 13357736
2-(3-bromo-4-pyrrolidin-1-ylphenyl)-N-methylethanamine
CID 117455100
N-methyl-2-(2-methyl-1-propan-2-ylindol-5-yl)ethanamine
CID 117204605
N-methyl-2-(1-propylindol-5-yl)ethanamine
CID 115106808
2-(3-bromo-1-methylindol-6-yl)acetaldehyde
CID 83900513
1-(3-bromo-1-methylindol-5-yl)cyclopropan-1-ol
CID 117419101
5-ethyl-3-fluoro-1-methylindole;propane
CID 176701533
2-(2-bromo-1-benzofuran-6-yl)-N-methylethanamine
CID 83900820

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-1-methylindol-5-yl)-N-methylethanamine?
The IUPAC name of 2-(3-bromo-1-methylindol-5-yl)-N-methylethanamine (CID 83902666) is 2-(3-bromo-1-methylindol-5-yl)-N-methylethanamine.
What is the SMILES notation for 2-(3-bromo-1-methylindol-5-yl)-N-methylethanamine?
The canonical SMILES for 2-(3-bromo-1-methylindol-5-yl)-N-methylethanamine is CNCCc1ccc2c(c1)c(Br)cn2C.
What is the InChIKey of 2-(3-bromo-1-methylindol-5-yl)-N-methylethanamine?
The InChIKey is UBIAINVTMVGCQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrN2/c1-14-6-5-9-3-4-12-10(7-9)11(13)8-15(12)2/h3-4,7-8,14H,5-6H2,1-2H3.
What are the key properties of 2-(3-bromo-1-methylindol-5-yl)-N-methylethanamine?
2-(3-bromo-1-methylindol-5-yl)-N-methylethanamine has a molecular weight of 267.17 g/mol, XLogP of 2.70, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-1-methylindol-5-yl)-N-methylethanamine is sourced from PubChem (CID 83902666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).