3-(chloromethyl)-2,6-dimethyl-1H-indole

C11H12ClN — CID 130049399

IUPAC3-(chloromethyl)-2,6-dimethyl-1H-indole
SMILESCc1ccc2c(CCl)c(C)[nH]c2c1
InChIInChI=1S/C11H12ClN/c1-7-3-4-9-10(6-12)8(2)13-11(9)5-7/h3-5,13H,6H2,1-2H3
InChIKeyLXBAMEOHRNTKKX-UHFFFAOYSA-N
MW193.68 g/mol
LogP3.52
Rot. Bonds1

About 3-(chloromethyl)-2,6-dimethyl-1H-indole

3-(chloromethyl)-2,6-dimethyl-1H-indole (PubChem CID 130049399) has the molecular formula C11H12ClN and a molecular weight of 193.68 g/mol. Its IUPAC name is 3-(chloromethyl)-2,6-dimethyl-1H-indole.

Molecular Properties

Compound Name3-(chloromethyl)-2,6-dimethyl-1H-indole
PubChem CID130049399
Molecular FormulaC11H12ClN
Molecular Weight193.68 g/mol
Exact Mass193.07
IUPAC Name3-(chloromethyl)-2,6-dimethyl-1H-indole
SMILESCc1ccc2c(CCl)c(C)[nH]c2c1
InChIInChI=1S/C11H12ClN/c1-7-3-4-9-10(6-12)8(2)13-11(9)5-7/h3-5,13H,6H2,1-2H3
InChIKeyLXBAMEOHRNTKKX-UHFFFAOYSA-N
XLogP3.52
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.68
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

(2,6-dimethyl-1H-indol-3-yl)methanamine
CID 82411351
2-(2,6-dimethyl-1H-indol-3-yl)acetamide
CID 82491600
methyl 2-(2,6-dimethyl-1H-indol-3-yl)acetate
CID 54107367
2-(6-chloro-2-methyl-1H-indol-3-yl)ethanamine
CID 28806617
1-(2,6-dimethyl-1H-indol-3-yl)ethanone
CID 51342127
6-methyl-3-[(6-methyl-2-phenyl-1H-indol-3-yl)methyl]-2-phenyl-1H-indole
CID 166069538
1-(3-ethyl-6-methyl-1H-indol-2-yl)-N-methylmethanamine
CID 84619951
3-ethyl-2-methyl-1H-indole-6-carbonitrile
CID 143660635
3-benzyl-6-methyl-1H-indole-2-thiol
CID 142712718
1-(6-bromo-2-methyl-1H-indol-3-yl)-N,N-dimethylmethanamine
CID 13384095
3-(2-amino-6-methyl-1H-indol-3-yl)propanamide
CID 168834316
methyl 2,6-dimethyl-1H-indole-3-carboxylate
CID 74890490

Frequently Asked Questions

What is the IUPAC name of 3-(chloromethyl)-2,6-dimethyl-1H-indole?
The IUPAC name of 3-(chloromethyl)-2,6-dimethyl-1H-indole (CID 130049399) is 3-(chloromethyl)-2,6-dimethyl-1H-indole.
What is the SMILES notation for 3-(chloromethyl)-2,6-dimethyl-1H-indole?
The canonical SMILES for 3-(chloromethyl)-2,6-dimethyl-1H-indole is Cc1ccc2c(CCl)c(C)[nH]c2c1.
What is the InChIKey of 3-(chloromethyl)-2,6-dimethyl-1H-indole?
The InChIKey is LXBAMEOHRNTKKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN/c1-7-3-4-9-10(6-12)8(2)13-11(9)5-7/h3-5,13H,6H2,1-2H3.
What are the key properties of 3-(chloromethyl)-2,6-dimethyl-1H-indole?
3-(chloromethyl)-2,6-dimethyl-1H-indole has a molecular weight of 193.68 g/mol, XLogP of 3.52, 1 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(chloromethyl)-2,6-dimethyl-1H-indole is sourced from PubChem (CID 130049399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).