1-(3-bromo-1,5,7-trimethylindol-2-yl)ethanamine

C13H17BrN2 — CID 84642843

IUPAC1-(3-bromo-1,5,7-trimethylindol-2-yl)ethanamine
SMILESCc1cc(C)c2c(c1)c(Br)c(C(C)N)n2C
InChIInChI=1S/C13H17BrN2/c1-7-5-8(2)12-10(6-7)11(14)13(9(3)15)16(12)4/h5-6,9H,15H2,1-4H3
InChIKeyPDNCSODBSZTJIB-UHFFFAOYSA-N
MW281.20 g/mol
LogP3.58
Rot. Bonds1

About 1-(3-bromo-1,5,7-trimethylindol-2-yl)ethanamine

1-(3-bromo-1,5,7-trimethylindol-2-yl)ethanamine (PubChem CID 84642843) has the molecular formula C13H17BrN2 and a molecular weight of 281.20 g/mol. Its IUPAC name is 1-(3-bromo-1,5,7-trimethylindol-2-yl)ethanamine.

Molecular Properties

Compound Name1-(3-bromo-1,5,7-trimethylindol-2-yl)ethanamine
PubChem CID84642843
Molecular FormulaC13H17BrN2
Molecular Weight281.20 g/mol
Exact Mass280.06
IUPAC Name1-(3-bromo-1,5,7-trimethylindol-2-yl)ethanamine
SMILESCc1cc(C)c2c(c1)c(Br)c(C(C)N)n2C
InChIInChI=1S/C13H17BrN2/c1-7-5-8(2)12-10(6-7)11(14)13(9(3)15)16(12)4/h5-6,9H,15H2,1-4H3
InChIKeyPDNCSODBSZTJIB-UHFFFAOYSA-N
XLogP3.58
TPSA30.95 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.20
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-1,5,7-trimethylindol-2-yl)ethanamine?
The IUPAC name of 1-(3-bromo-1,5,7-trimethylindol-2-yl)ethanamine (CID 84642843) is 1-(3-bromo-1,5,7-trimethylindol-2-yl)ethanamine.
What is the SMILES notation for 1-(3-bromo-1,5,7-trimethylindol-2-yl)ethanamine?
The canonical SMILES for 1-(3-bromo-1,5,7-trimethylindol-2-yl)ethanamine is Cc1cc(C)c2c(c1)c(Br)c(C(C)N)n2C.
What is the InChIKey of 1-(3-bromo-1,5,7-trimethylindol-2-yl)ethanamine?
The InChIKey is PDNCSODBSZTJIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrN2/c1-7-5-8(2)12-10(6-7)11(14)13(9(3)15)16(12)4/h5-6,9H,15H2,1-4H3.
What are the key properties of 1-(3-bromo-1,5,7-trimethylindol-2-yl)ethanamine?
1-(3-bromo-1,5,7-trimethylindol-2-yl)ethanamine has a molecular weight of 281.20 g/mol, XLogP of 3.58, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-1,5,7-trimethylindol-2-yl)ethanamine is sourced from PubChem (CID 84642843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).