5-chloro-3-(3-methylbutan-2-yl)-1H-indole

C13H16ClN — CID 106985155

IUPAC5-chloro-3-(3-methylbutan-2-yl)-1H-indole
SMILESCC(C)C(C)c1c[nH]c2ccc(Cl)cc12
InChIInChI=1S/C13H16ClN/c1-8(2)9(3)12-7-15-13-5-4-10(14)6-11(12)13/h4-9,15H,1-3H3
InChIKeyKKRPYUSXWUQHKI-UHFFFAOYSA-N
MW221.73 g/mol
LogP4.58
Rot. Bonds2

About 5-chloro-3-(3-methylbutan-2-yl)-1H-indole

5-chloro-3-(3-methylbutan-2-yl)-1H-indole (PubChem CID 106985155) has the molecular formula C13H16ClN and a molecular weight of 221.73 g/mol. Its IUPAC name is 5-chloro-3-(3-methylbutan-2-yl)-1H-indole.

Molecular Properties

Compound Name5-chloro-3-(3-methylbutan-2-yl)-1H-indole
PubChem CID106985155
Molecular FormulaC13H16ClN
Molecular Weight221.73 g/mol
Exact Mass221.10
IUPAC Name5-chloro-3-(3-methylbutan-2-yl)-1H-indole
SMILESCC(C)C(C)c1c[nH]c2ccc(Cl)cc12
InChIInChI=1S/C13H16ClN/c1-8(2)9(3)12-7-15-13-5-4-10(14)6-11(12)13/h4-9,15H,1-3H3
InChIKeyKKRPYUSXWUQHKI-UHFFFAOYSA-N
XLogP4.58
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.73
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Related Compounds

(1R)-1-(5-chloro-1H-indol-3-yl)ethanamine
CID 78961660
1-(5-chloro-1H-indol-3-yl)ethanamine
CID 3016992
1-(5-chloro-1H-indol-3-yl)ethanol
CID 117195568
2-(5-chloro-1H-indol-3-yl)-3-methylbutan-1-amine
CID 82496887
5-bromo-3-(3-methylbutan-2-yl)-1H-indole
CID 106985167
5-fluoro-3-(3-methylbutan-2-yl)-1H-indole
CID 106985153
5-tert-butyl-3-(3-methylbutan-2-yl)-1H-indole
CID 106985157
(1S)-1-(5-chloro-1H-indol-3-yl)propan-1-ol
CID 82758549
1-(5-chloro-1H-indol-3-yl)butan-1-ol
CID 118499287
(5-chloro-1H-indol-3-yl)-cyclopropylmethanamine
CID 82277697
(2S)-2-amino-2-(5-chloro-1H-indol-3-yl)ethanol
CID 96776234
5-chloro-3-heptan-3-yl-1H-indole
CID 106985273

Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-(3-methylbutan-2-yl)-1H-indole?
The IUPAC name of 5-chloro-3-(3-methylbutan-2-yl)-1H-indole (CID 106985155) is 5-chloro-3-(3-methylbutan-2-yl)-1H-indole.
What is the SMILES notation for 5-chloro-3-(3-methylbutan-2-yl)-1H-indole?
The canonical SMILES for 5-chloro-3-(3-methylbutan-2-yl)-1H-indole is CC(C)C(C)c1c[nH]c2ccc(Cl)cc12.
What is the InChIKey of 5-chloro-3-(3-methylbutan-2-yl)-1H-indole?
The InChIKey is KKRPYUSXWUQHKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN/c1-8(2)9(3)12-7-15-13-5-4-10(14)6-11(12)13/h4-9,15H,1-3H3.
What are the key properties of 5-chloro-3-(3-methylbutan-2-yl)-1H-indole?
5-chloro-3-(3-methylbutan-2-yl)-1H-indole has a molecular weight of 221.73 g/mol, XLogP of 4.58, 2 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-(3-methylbutan-2-yl)-1H-indole is sourced from PubChem (CID 106985155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).