3-(1-chloroethyl)-1-methylindole

C11H12ClN — CID 174876256

IUPAC3-(1-chloroethyl)-1-methylindole
SMILESCC(Cl)c1cn(C)c2ccccc12
InChIInChI=1S/C11H12ClN/c1-8(12)10-7-13(2)11-6-4-3-5-9(10)11/h3-8H,1-2H3
InChIKeyCAIGQIOCXUVVAJ-UHFFFAOYSA-N
MW193.68 g/mol
LogP3.48
Rot. Bonds1

About 3-(1-chloroethyl)-1-methylindole

3-(1-chloroethyl)-1-methylindole (PubChem CID 174876256) has the molecular formula C11H12ClN and a molecular weight of 193.68 g/mol. Its IUPAC name is 3-(1-chloroethyl)-1-methylindole.

Molecular Properties

Compound Name3-(1-chloroethyl)-1-methylindole
PubChem CID174876256
Molecular FormulaC11H12ClN
Molecular Weight193.68 g/mol
Exact Mass193.07
IUPAC Name3-(1-chloroethyl)-1-methylindole
SMILESCC(Cl)c1cn(C)c2ccccc12
InChIInChI=1S/C11H12ClN/c1-8(12)10-7-13(2)11-6-4-3-5-9(10)11/h3-8H,1-2H3
InChIKeyCAIGQIOCXUVVAJ-UHFFFAOYSA-N
XLogP3.48
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.68
LogP ≤ 53.48
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-methyl-3-propan-2-ylindole
CID 10942942
1-chloro-N,N-dimethyl-1-(1-methylindol-3-yl)methanamine
CID 116915219
3-(1-bromoethyl)-1-methylindole
CID 174852068
1-methyl-3-(4-methylpentan-2-yl)indole
CID 129132134
1-(methylamino)-1-(1-methylindol-3-yl)propan-2-ol
CID 116859440
2-chloro-N,N-dimethyl-1-(1-methylindol-3-yl)ethanamine
CID 116907436
1-methyl-3-(1-thiophen-2-ylethyl)indole
CID 23649825
1-methyl-3-[1-(1-methylindol-3-yl)butyl]indole
CID 22019303
1-methyl-3-[(1-methylindol-3-yl)-(2-methylphenyl)methyl]indole
CID 177441153
(1R)-2-amino-1-(1-methylindol-3-yl)ethanol
CID 39238214
methoxy-(1-methylindol-3-yl)methanamine
CID 116947283
chloro-(1-methylindol-3-yl)-di(propan-2-yl)silane
CID 134964263

Frequently Asked Questions

What is the IUPAC name of 3-(1-chloroethyl)-1-methylindole?
The IUPAC name of 3-(1-chloroethyl)-1-methylindole (CID 174876256) is 3-(1-chloroethyl)-1-methylindole.
What is the SMILES notation for 3-(1-chloroethyl)-1-methylindole?
The canonical SMILES for 3-(1-chloroethyl)-1-methylindole is CC(Cl)c1cn(C)c2ccccc12.
What is the InChIKey of 3-(1-chloroethyl)-1-methylindole?
The InChIKey is CAIGQIOCXUVVAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN/c1-8(12)10-7-13(2)11-6-4-3-5-9(10)11/h3-8H,1-2H3.
What are the key properties of 3-(1-chloroethyl)-1-methylindole?
3-(1-chloroethyl)-1-methylindole has a molecular weight of 193.68 g/mol, XLogP of 3.48, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-chloroethyl)-1-methylindole is sourced from PubChem (CID 174876256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).