1-(3-bromo-1,7-dimethylindol-2-yl)-N-methylethanamine

C13H17BrN2 — CID 84642831

IUPAC1-(3-bromo-1,7-dimethylindol-2-yl)-N-methylethanamine
SMILESCNC(C)c1c(Br)c2cccc(C)c2n1C
InChIInChI=1S/C13H17BrN2/c1-8-6-5-7-10-11(14)13(9(2)15-3)16(4)12(8)10/h5-7,9,15H,1-4H3
InChIKeyRMJRLYYXCQZVDI-UHFFFAOYSA-N
MW281.20 g/mol
LogP3.53
Rot. Bonds2

About 1-(3-bromo-1,7-dimethylindol-2-yl)-N-methylethanamine

1-(3-bromo-1,7-dimethylindol-2-yl)-N-methylethanamine (PubChem CID 84642831) has the molecular formula C13H17BrN2 and a molecular weight of 281.20 g/mol. Its IUPAC name is 1-(3-bromo-1,7-dimethylindol-2-yl)-N-methylethanamine.

Molecular Properties

Compound Name1-(3-bromo-1,7-dimethylindol-2-yl)-N-methylethanamine
PubChem CID84642831
Molecular FormulaC13H17BrN2
Molecular Weight281.20 g/mol
Exact Mass280.06
IUPAC Name1-(3-bromo-1,7-dimethylindol-2-yl)-N-methylethanamine
SMILESCNC(C)c1c(Br)c2cccc(C)c2n1C
InChIInChI=1S/C13H17BrN2/c1-8-6-5-7-10-11(14)13(9(2)15-3)16(4)12(8)10/h5-7,9,15H,1-4H3
InChIKeyRMJRLYYXCQZVDI-UHFFFAOYSA-N
XLogP3.53
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.20
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(7-chloro-1,3-dimethylindol-2-yl)-N-methylethanamine
CID 83868332
N-methyl-1-(1,3,4,7-tetramethylindol-2-yl)ethanamine
CID 83859802
1-(1,3-dimethylindol-2-yl)-N-methylethanamine
CID 83859797
1-(7-bromo-1-methylindol-3-yl)-N-methylethanamine
CID 117197621
2-amino-2-(1,3,7-trimethylindol-2-yl)ethanol
CID 83859878
2-chloro-1,3,7-trimethylindole
CID 117127854
1-(3-bromo-1,5,7-trimethylindol-2-yl)ethanamine
CID 84642843
2-bromo-3,7-dimethyl-1-propan-2-ylindole
CID 117127858
3-bromo-7-fluoro-1,2-dimethylindole
CID 82279918
4,5,10-trimethylphenanthridin-6-one
CID 132522082
1-[5-(2-bromo-3-methylphenyl)-1,3-oxazol-2-yl]-N-methylethanamine
CID 107984133
N-methyl-3-(1,3,7-trimethylindol-2-yl)propan-1-amine
CID 84626383

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-1,7-dimethylindol-2-yl)-N-methylethanamine?
The IUPAC name of 1-(3-bromo-1,7-dimethylindol-2-yl)-N-methylethanamine (CID 84642831) is 1-(3-bromo-1,7-dimethylindol-2-yl)-N-methylethanamine.
What is the SMILES notation for 1-(3-bromo-1,7-dimethylindol-2-yl)-N-methylethanamine?
The canonical SMILES for 1-(3-bromo-1,7-dimethylindol-2-yl)-N-methylethanamine is CNC(C)c1c(Br)c2cccc(C)c2n1C.
What is the InChIKey of 1-(3-bromo-1,7-dimethylindol-2-yl)-N-methylethanamine?
The InChIKey is RMJRLYYXCQZVDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrN2/c1-8-6-5-7-10-11(14)13(9(2)15-3)16(4)12(8)10/h5-7,9,15H,1-4H3.
What are the key properties of 1-(3-bromo-1,7-dimethylindol-2-yl)-N-methylethanamine?
1-(3-bromo-1,7-dimethylindol-2-yl)-N-methylethanamine has a molecular weight of 281.20 g/mol, XLogP of 3.53, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-1,7-dimethylindol-2-yl)-N-methylethanamine is sourced from PubChem (CID 84642831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).