1-(2-bromoethyl)-6-methylindole

C11H12BrN — CID 130577129

IUPAC1-(2-bromoethyl)-6-methylindole
SMILESCc1ccc2ccn(CCBr)c2c1
InChIInChI=1S/C11H12BrN/c1-9-2-3-10-4-6-13(7-5-12)11(10)8-9/h2-4,6,8H,5,7H2,1H3
InChIKeySSVPHVYRTLEYIG-UHFFFAOYSA-N
MW238.13 g/mol
LogP3.34
Rot. Bonds2

About 1-(2-bromoethyl)-6-methylindole

1-(2-bromoethyl)-6-methylindole (PubChem CID 130577129) has the molecular formula C11H12BrN and a molecular weight of 238.13 g/mol. Its IUPAC name is 1-(2-bromoethyl)-6-methylindole.

Molecular Properties

Compound Name1-(2-bromoethyl)-6-methylindole
PubChem CID130577129
Molecular FormulaC11H12BrN
Molecular Weight238.13 g/mol
Exact Mass237.02
IUPAC Name1-(2-bromoethyl)-6-methylindole
SMILESCc1ccc2ccn(CCBr)c2c1
InChIInChI=1S/C11H12BrN/c1-9-2-3-10-4-6-13(7-5-12)11(10)8-9/h2-4,6,8H,5,7H2,1H3
InChIKeySSVPHVYRTLEYIG-UHFFFAOYSA-N
XLogP3.34
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 ≤ 53.34
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

1-decyl-6-methylindole
CID 116546893
6-methyl-1-(4,4,4-trifluorobutyl)indole
CID 116546672
1-bromo-3-(6-methylindol-1-yl)propan-2-ol
CID 130577128
2,2-dimethyl-5-(6-methylindol-1-yl)pentan-1-amine
CID 65253963
1-(3-ethoxypropyl)-6-methylindole
CID 116546661
1-(2,2-difluoroethyl)-6-methylindole
CID 116546869
3-(6-methylindol-1-yl)-N-propylpropan-1-amine
CID 62562354
N-[2-(6-methylindol-1-yl)ethyl]butan-2-amine
CID 62562519
5-amino-1-[2-(6-methylindol-1-yl)ethyl]pyridin-2-one
CID 43259823
5-(6-methylindol-1-yl)pentanehydrazide
CID 63577406
2-ethoxy-4-(6-methylindol-1-yl)butan-1-amine
CID 63070295
4-methyl-N-[2-(6-methylindol-1-yl)ethyl]cyclohexan-1-amine
CID 63506793

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromoethyl)-6-methylindole?
The IUPAC name of 1-(2-bromoethyl)-6-methylindole (CID 130577129) is 1-(2-bromoethyl)-6-methylindole.
What is the SMILES notation for 1-(2-bromoethyl)-6-methylindole?
The canonical SMILES for 1-(2-bromoethyl)-6-methylindole is Cc1ccc2ccn(CCBr)c2c1.
What is the InChIKey of 1-(2-bromoethyl)-6-methylindole?
The InChIKey is SSVPHVYRTLEYIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrN/c1-9-2-3-10-4-6-13(7-5-12)11(10)8-9/h2-4,6,8H,5,7H2,1H3.
What are the key properties of 1-(2-bromoethyl)-6-methylindole?
1-(2-bromoethyl)-6-methylindole has a molecular weight of 238.13 g/mol, XLogP of 3.34, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromoethyl)-6-methylindole is sourced from PubChem (CID 130577129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).