3-(2-bromoethyl)-1-methylindole

C11H12BrN — CID 13153306

IUPAC3-(2-bromoethyl)-1-methylindole
SMILESCn1cc(CCBr)c2ccccc21
InChIInChI=1S/C11H12BrN/c1-13-8-9(6-7-12)10-4-2-3-5-11(10)13/h2-5,8H,6-7H2,1H3
InChIKeyGGGKTMYGNHOBHF-UHFFFAOYSA-N
MW238.13 g/mol
LogP3.12
Rot. Bonds2

About 3-(2-bromoethyl)-1-methylindole

3-(2-bromoethyl)-1-methylindole (PubChem CID 13153306) has the molecular formula C11H12BrN and a molecular weight of 238.13 g/mol. Its IUPAC name is 3-(2-bromoethyl)-1-methylindole.

Molecular Properties

Compound Name3-(2-bromoethyl)-1-methylindole
PubChem CID13153306
Molecular FormulaC11H12BrN
Molecular Weight238.13 g/mol
Exact Mass237.02
IUPAC Name3-(2-bromoethyl)-1-methylindole
SMILESCn1cc(CCBr)c2ccccc21
InChIInChI=1S/C11H12BrN/c1-13-8-9(6-7-12)10-4-2-3-5-11(10)13/h2-5,8H,6-7H2,1H3
InChIKeyGGGKTMYGNHOBHF-UHFFFAOYSA-N
XLogP3.12
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.13
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

3-(1-methylindol-3-yl)propan-1-amine
CID 3930315
3-decyl-1-methylindole
CID 10802084
2-(1-methylindol-3-yl)ethanesulfonyl chloride
CID 82483252
3-methyl-5-(1-methylindol-3-yl)pentan-2-one
CID 58492260
3-(methoxymethyl)-1-methylindole
CID 18711466
4-(1-methylindol-3-yl)butanamide
CID 175206986
2-[2-(1-methylindol-3-yl)ethylamino]ethanethiol
CID 115224231
2-[2-(1-methylindol-3-yl)ethylamino]acetonitrile
CID 115131227
3-[2-(1-methylindol-3-yl)ethylamino]propan-1-ol
CID 115217042
1-methyl-3-[2-[1-[3-[4-[2-(1-methylindol-3-yl)ethyl]pyridin-1-ium-1-yl]propyl]pyridin-1-ium-4-yl]ethyl]indole
CID 3849206
N-(hydrazinylmethyl)-N-methyl-2-(1-methylindol-3-yl)ethanamine
CID 115261290
5-[2-(1-methylindol-3-yl)ethyl]-1H-pyrrol-2-amine
CID 82374716

Frequently Asked Questions

What is the IUPAC name of 3-(2-bromoethyl)-1-methylindole?
The IUPAC name of 3-(2-bromoethyl)-1-methylindole (CID 13153306) is 3-(2-bromoethyl)-1-methylindole.
What is the SMILES notation for 3-(2-bromoethyl)-1-methylindole?
The canonical SMILES for 3-(2-bromoethyl)-1-methylindole is Cn1cc(CCBr)c2ccccc21.
What is the InChIKey of 3-(2-bromoethyl)-1-methylindole?
The InChIKey is GGGKTMYGNHOBHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrN/c1-13-8-9(6-7-12)10-4-2-3-5-11(10)13/h2-5,8H,6-7H2,1H3.
What are the key properties of 3-(2-bromoethyl)-1-methylindole?
3-(2-bromoethyl)-1-methylindole has a molecular weight of 238.13 g/mol, XLogP of 3.12, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-bromoethyl)-1-methylindole is sourced from PubChem (CID 13153306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).