6-chloro-3-(2,2-dimethylpropyl)-1H-indole

C13H16ClN — CID 59153141

IUPAC6-chloro-3-(2,2-dimethylpropyl)-1H-indole
SMILESCC(C)(C)Cc1c[nH]c2cc(Cl)ccc12
InChIInChI=1S/C13H16ClN/c1-13(2,3)7-9-8-15-12-6-10(14)4-5-11(9)12/h4-6,8,15H,7H2,1-3H3
InChIKeyLYMHGBLYWNDACJ-UHFFFAOYSA-N
MW221.73 g/mol
LogP4.41
Rot. Bonds1

About 6-chloro-3-(2,2-dimethylpropyl)-1H-indole

6-chloro-3-(2,2-dimethylpropyl)-1H-indole (PubChem CID 59153141) has the molecular formula C13H16ClN and a molecular weight of 221.73 g/mol. Its IUPAC name is 6-chloro-3-(2,2-dimethylpropyl)-1H-indole.

Molecular Properties

Compound Name6-chloro-3-(2,2-dimethylpropyl)-1H-indole
PubChem CID59153141
Molecular FormulaC13H16ClN
Molecular Weight221.73 g/mol
Exact Mass221.10
IUPAC Name6-chloro-3-(2,2-dimethylpropyl)-1H-indole
SMILESCC(C)(C)Cc1c[nH]c2cc(Cl)ccc12
InChIInChI=1S/C13H16ClN/c1-13(2,3)7-9-8-15-12-6-10(14)4-5-11(9)12/h4-6,8,15H,7H2,1-3H3
InChIKeyLYMHGBLYWNDACJ-UHFFFAOYSA-N
XLogP4.41
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.73
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Related Compounds

3-(2,2-dimethylpropyl)-6-methyl-1H-indole
CID 129190941
N-[(6-chloro-1H-indol-3-yl)methyl]-3-methylpentan-3-amine
CID 106328237
6-chloro-3-(ethoxymethyl)-1H-indole
CID 117178595
3-(bromomethyl)-6-chloro-1H-indole
CID 131288743
2-amino-2-[(6-chloro-1H-indol-3-yl)methyl]-3-oxobutanoic acid
CID 154514584
N-[(6-chloro-1H-indol-3-yl)methyl]-2-ethoxy-2-methylpropan-1-amine
CID 114940997
O-[(6-chloro-1H-indol-3-yl)methyl]hydroxylamine
CID 117196286
6-chloro-3-(isocyanomethyl)-1H-indole
CID 83483881
2-(6-chloro-1H-indol-3-yl)-N-ethyl-N-(2-hydroxy-2-methylpropyl)acetamide
CID 111596477
6-chloro-3-(3-methylbut-2-enyl)-1H-indole
CID 11074898
N-[(6-chloro-1H-indol-3-yl)methyl]-2-ethylcyclopropan-1-amine
CID 114107722
2-(6-chloro-1H-indol-3-yl)-N-(2-hydroxy-2-methylpropyl)-N-methylacetamide
CID 111543131

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-(2,2-dimethylpropyl)-1H-indole?
The IUPAC name of 6-chloro-3-(2,2-dimethylpropyl)-1H-indole (CID 59153141) is 6-chloro-3-(2,2-dimethylpropyl)-1H-indole.
What is the SMILES notation for 6-chloro-3-(2,2-dimethylpropyl)-1H-indole?
The canonical SMILES for 6-chloro-3-(2,2-dimethylpropyl)-1H-indole is CC(C)(C)Cc1c[nH]c2cc(Cl)ccc12.
What is the InChIKey of 6-chloro-3-(2,2-dimethylpropyl)-1H-indole?
The InChIKey is LYMHGBLYWNDACJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN/c1-13(2,3)7-9-8-15-12-6-10(14)4-5-11(9)12/h4-6,8,15H,7H2,1-3H3.
What are the key properties of 6-chloro-3-(2,2-dimethylpropyl)-1H-indole?
6-chloro-3-(2,2-dimethylpropyl)-1H-indole has a molecular weight of 221.73 g/mol, XLogP of 4.41, 1 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-(2,2-dimethylpropyl)-1H-indole is sourced from PubChem (CID 59153141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).