5-chloro-3-cyclohexyl-1-methylindole

C15H18ClN — CID 135084055

IUPAC5-chloro-3-cyclohexyl-1-methylindole
SMILESCn1cc(C2CCCCC2)c2cc(Cl)ccc21
InChIInChI=1S/C15H18ClN/c1-17-10-14(11-5-3-2-4-6-11)13-9-12(16)7-8-15(13)17/h7-11H,2-6H2,1H3
InChIKeyKCWMUXUBADQHHY-UHFFFAOYSA-N
MW247.77 g/mol
LogP4.88
Rot. Bonds1

About 5-chloro-3-cyclohexyl-1-methylindole

5-chloro-3-cyclohexyl-1-methylindole (PubChem CID 135084055) has the molecular formula C15H18ClN and a molecular weight of 247.77 g/mol. Its IUPAC name is 5-chloro-3-cyclohexyl-1-methylindole.

Molecular Properties

Compound Name5-chloro-3-cyclohexyl-1-methylindole
PubChem CID135084055
Molecular FormulaC15H18ClN
Molecular Weight247.77 g/mol
Exact Mass247.11
IUPAC Name5-chloro-3-cyclohexyl-1-methylindole
SMILESCn1cc(C2CCCCC2)c2cc(Cl)ccc21
InChIInChI=1S/C15H18ClN/c1-17-10-14(11-5-3-2-4-6-11)13-9-12(16)7-8-15(13)17/h7-11H,2-6H2,1H3
InChIKeyKCWMUXUBADQHHY-UHFFFAOYSA-N
XLogP4.88
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.77
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 142650131
1,5-dimethyl-3-(oxan-4-yl)indole
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CID 66685145
2-[(5-chloro-1-methylindol-3-yl)methyl]cyclopentan-1-ol
CID 84639329
5-tert-butyl-1-methyl-3-piperidin-4-ylindole
CID 58080359
(6-chloro-1-methylindol-3-yl)-cycloheptylmethanone
CID 116651040
4-chloro-2-cyclohexyl-1-methoxybenzene
CID 71228183
bromo 3-cyclopentyl-1-methylindole-6-carboxylate
CID 141325350
2-(5-chloro-1-methylindol-3-yl)propanoic acid
CID 18175124
4-chloro-2-cyclohexyl-1-nitrobenzene
CID 12007670
4-(5-chloro-1-cyclopropylindol-3-yl)piperidine-1-carboxylic acid
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5-cyclohexyl-1,3-dimethylpyrimidine-2,4-dione
CID 14386102

Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-cyclohexyl-1-methylindole?
The IUPAC name of 5-chloro-3-cyclohexyl-1-methylindole (CID 135084055) is 5-chloro-3-cyclohexyl-1-methylindole.
What is the SMILES notation for 5-chloro-3-cyclohexyl-1-methylindole?
The canonical SMILES for 5-chloro-3-cyclohexyl-1-methylindole is Cn1cc(C2CCCCC2)c2cc(Cl)ccc21.
What is the InChIKey of 5-chloro-3-cyclohexyl-1-methylindole?
The InChIKey is KCWMUXUBADQHHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN/c1-17-10-14(11-5-3-2-4-6-11)13-9-12(16)7-8-15(13)17/h7-11H,2-6H2,1H3.
What are the key properties of 5-chloro-3-cyclohexyl-1-methylindole?
5-chloro-3-cyclohexyl-1-methylindole has a molecular weight of 247.77 g/mol, XLogP of 4.88, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-cyclohexyl-1-methylindole is sourced from PubChem (CID 135084055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).