6-chloro-2-propan-2-yl-1H-indole;ethane

C13H18ClN — CID 176573496

IUPAC6-chloro-2-propan-2-yl-1H-indole;ethane
SMILESCC.CC(C)c1cc2ccc(Cl)cc2[nH]1
InChIInChI=1S/C11H12ClN.C2H6/c1-7(2)10-5-8-3-4-9(12)6-11(8)13-10;1-2/h3-7,13H,1-2H3;1-2H3
InChIKeyGIDHDHPCARZEGC-UHFFFAOYSA-N
MW223.75 g/mol
LogP4.97
Rot. Bonds1

About 6-chloro-2-propan-2-yl-1H-indole;ethane

6-chloro-2-propan-2-yl-1H-indole;ethane (PubChem CID 176573496) has the molecular formula C13H18ClN and a molecular weight of 223.75 g/mol. Its IUPAC name is 6-chloro-2-propan-2-yl-1H-indole;ethane.

Molecular Properties

Compound Name6-chloro-2-propan-2-yl-1H-indole;ethane
PubChem CID176573496
Molecular FormulaC13H18ClN
Molecular Weight223.75 g/mol
Exact Mass223.11
IUPAC Name6-chloro-2-propan-2-yl-1H-indole;ethane
SMILESCC.CC(C)c1cc2ccc(Cl)cc2[nH]1
InChIInChI=1S/C11H12ClN.C2H6/c1-7(2)10-5-8-3-4-9(12)6-11(8)13-10;1-2/h3-7,13H,1-2H3;1-2H3
InChIKeyGIDHDHPCARZEGC-UHFFFAOYSA-N
XLogP4.97
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.75
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Related Compounds

2,6-di(propan-2-yl)-1H-indole
CID 59835911
2,5,6-tri(propan-2-yl)-1H-indole
CID 134294534
6-chloro-N-(1-hydroxypropan-2-yl)-N-methyl-1H-indole-2-carboxamide
CID 109388491
N'-[(2-propan-2-yl-1H-indol-6-yl)methyl]propane-1,3-diamine
CID 59646598
7-chloro-3-propan-2-yl-1H-quinoxalin-2-one
CID 10944074
7-chloro-1H-quinoline-2-thione
CID 83637429
5,7-dichloro-2-propan-2-yl-1H-indole
CID 164776982
7-chloro-2-propan-2-yl-1H-indole
CID 83637222
6-chloro-N-ethyl-1H-indole-2-carboxamide
CID 47172452
6-chloro-N-(4-propan-2-yloxyphenyl)-1H-indole-2-carboxamide
CID 113207580
N-[(6-chloro-1H-indol-2-yl)methyl]ethanamine
CID 117180309
2-(6-chloro-1H-indol-2-yl)ethanol
CID 83674317

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-propan-2-yl-1H-indole;ethane?
The IUPAC name of 6-chloro-2-propan-2-yl-1H-indole;ethane (CID 176573496) is 6-chloro-2-propan-2-yl-1H-indole;ethane.
What is the SMILES notation for 6-chloro-2-propan-2-yl-1H-indole;ethane?
The canonical SMILES for 6-chloro-2-propan-2-yl-1H-indole;ethane is CC.CC(C)c1cc2ccc(Cl)cc2[nH]1.
What is the InChIKey of 6-chloro-2-propan-2-yl-1H-indole;ethane?
The InChIKey is GIDHDHPCARZEGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN.C2H6/c1-7(2)10-5-8-3-4-9(12)6-11(8)13-10;1-2/h3-7,13H,1-2H3;1-2H3.
What are the key properties of 6-chloro-2-propan-2-yl-1H-indole;ethane?
6-chloro-2-propan-2-yl-1H-indole;ethane has a molecular weight of 223.75 g/mol, XLogP of 4.97, 1 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-propan-2-yl-1H-indole;ethane is sourced from PubChem (CID 176573496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).