5-chloro-2-methyl-1H-indole;ethane

C13H20ClN — CID 143548586

IUPAC5-chloro-2-methyl-1H-indole;ethane
SMILESCC.CC.Cc1cc2cc(Cl)ccc2[nH]1
InChIInChI=1S/C9H8ClN.2C2H6/c1-6-4-7-5-8(10)2-3-9(7)11-6;2*1-2/h2-5,11H,1H3;2*1-2H3
InChIKeyZKSHMFHWGDTWBX-UHFFFAOYSA-N
MW225.76 g/mol
LogP5.18
Rot. Bonds

About 5-chloro-2-methyl-1H-indole;ethane

5-chloro-2-methyl-1H-indole;ethane (PubChem CID 143548586) has the molecular formula C13H20ClN and a molecular weight of 225.76 g/mol. Its IUPAC name is 5-chloro-2-methyl-1H-indole;ethane.

Molecular Properties

Compound Name5-chloro-2-methyl-1H-indole;ethane
PubChem CID143548586
Molecular FormulaC13H20ClN
Molecular Weight225.76 g/mol
Exact Mass225.13
IUPAC Name5-chloro-2-methyl-1H-indole;ethane
SMILESCC.CC.Cc1cc2cc(Cl)ccc2[nH]1
InChIInChI=1S/C9H8ClN.2C2H6/c1-6-4-7-5-8(10)2-3-9(7)11-6;2*1-2/h2-5,11H,1H3;2*1-2H3
InChIKeyZKSHMFHWGDTWBX-UHFFFAOYSA-N
XLogP5.18
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500225.76
LogP ≤ 55.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Related Compounds

2,5-dimethyl-1H-indole;ethane;propane
CID 144992538
2-(bromomethyl)-5-chloro-1H-indole
CID 119086448
5-chloro-1H-indole-2-carboxylic acid;ethane
CID 143173847
5-chloro-2-methyl-1H-indole;2-(5-chloro-2-methylindol-1-yl)propanoic acid
CID 161343548
ethane;2-methyl-1H-indole-5-carbonitrile
CID 143849971
N,2-dimethyl-1H-indol-5-amine
CID 12537594
6-chloro-5-fluoro-2-methyl-1H-indole
CID 130063681
1-(4-chlorophenyl)-N-[(2-methyl-1H-indol-5-yl)methyl]methanesulfonamide
CID 110604340
6-chloro-3-(4-methylphenyl)-1H-quinolin-2-one
CID 166443744
2,4-dichloro-N-[(2-methyl-1H-indol-5-yl)methyl]benzamide
CID 5096662
6-chloro-3-(hydroxymethyl)-1H-quinolin-2-one;ethane;methane
CID 170632349
5-chloro-2-(ethoxymethyl)-1H-indole
CID 117176866

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-methyl-1H-indole;ethane?
The IUPAC name of 5-chloro-2-methyl-1H-indole;ethane (CID 143548586) is 5-chloro-2-methyl-1H-indole;ethane.
What is the SMILES notation for 5-chloro-2-methyl-1H-indole;ethane?
The canonical SMILES for 5-chloro-2-methyl-1H-indole;ethane is CC.CC.Cc1cc2cc(Cl)ccc2[nH]1.
What is the InChIKey of 5-chloro-2-methyl-1H-indole;ethane?
The InChIKey is ZKSHMFHWGDTWBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClN.2C2H6/c1-6-4-7-5-8(10)2-3-9(7)11-6;2*1-2/h2-5,11H,1H3;2*1-2H3.
What are the key properties of 5-chloro-2-methyl-1H-indole;ethane?
5-chloro-2-methyl-1H-indole;ethane has a molecular weight of 225.76 g/mol, XLogP of 5.18, 0 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-methyl-1H-indole;ethane is sourced from PubChem (CID 143548586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).