1-(3-bromo-5-ethyl-1H-indol-2-yl)-N-methylmethanamine

C12H15BrN2 — CID 84640380

IUPAC1-(3-bromo-5-ethyl-1H-indol-2-yl)-N-methylmethanamine
SMILESCCc1ccc2[nH]c(CNC)c(Br)c2c1
InChIInChI=1S/C12H15BrN2/c1-3-8-4-5-10-9(6-8)12(13)11(15-10)7-14-2/h4-6,14-15H,3,7H2,1-2H3
InChIKeyBGHBBLZWZBYOBH-UHFFFAOYSA-N
MW267.17 g/mol
LogP3.21
Rot. Bonds3

About 1-(3-bromo-5-ethyl-1H-indol-2-yl)-N-methylmethanamine

1-(3-bromo-5-ethyl-1H-indol-2-yl)-N-methylmethanamine (PubChem CID 84640380) has the molecular formula C12H15BrN2 and a molecular weight of 267.17 g/mol. Its IUPAC name is 1-(3-bromo-5-ethyl-1H-indol-2-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(3-bromo-5-ethyl-1H-indol-2-yl)-N-methylmethanamine
PubChem CID84640380
Molecular FormulaC12H15BrN2
Molecular Weight267.17 g/mol
Exact Mass266.04
IUPAC Name1-(3-bromo-5-ethyl-1H-indol-2-yl)-N-methylmethanamine
SMILESCCc1ccc2[nH]c(CNC)c(Br)c2c1
InChIInChI=1S/C12H15BrN2/c1-3-8-4-5-10-9(6-8)12(13)11(15-10)7-14-2/h4-6,14-15H,3,7H2,1-2H3
InChIKeyBGHBBLZWZBYOBH-UHFFFAOYSA-N
XLogP3.21
TPSA27.82 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.17
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-5-ethyl-1H-indol-2-yl)-N-methylmethanamine?
The IUPAC name of 1-(3-bromo-5-ethyl-1H-indol-2-yl)-N-methylmethanamine (CID 84640380) is 1-(3-bromo-5-ethyl-1H-indol-2-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(3-bromo-5-ethyl-1H-indol-2-yl)-N-methylmethanamine?
The canonical SMILES for 1-(3-bromo-5-ethyl-1H-indol-2-yl)-N-methylmethanamine is CCc1ccc2[nH]c(CNC)c(Br)c2c1.
What is the InChIKey of 1-(3-bromo-5-ethyl-1H-indol-2-yl)-N-methylmethanamine?
The InChIKey is BGHBBLZWZBYOBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrN2/c1-3-8-4-5-10-9(6-8)12(13)11(15-10)7-14-2/h4-6,14-15H,3,7H2,1-2H3.
What are the key properties of 1-(3-bromo-5-ethyl-1H-indol-2-yl)-N-methylmethanamine?
1-(3-bromo-5-ethyl-1H-indol-2-yl)-N-methylmethanamine has a molecular weight of 267.17 g/mol, XLogP of 3.21, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-5-ethyl-1H-indol-2-yl)-N-methylmethanamine is sourced from PubChem (CID 84640380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).