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

C14H19NO — CID 106985577

IUPAC5-methoxy-3-(2-methylbutan-2-yl)-1H-indole
SMILESCCC(C)(C)c1c[nH]c2ccc(OC)cc12
InChIInChI=1S/C14H19NO/c1-5-14(2,3)12-9-15-13-7-6-10(16-4)8-11(12)13/h6-9,15H,5H2,1-4H3
InChIKeyCFUNNWPRVBNIIE-UHFFFAOYSA-N
MW217.31 g/mol
LogP3.86
Rot. Bonds3

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

5-methoxy-3-(2-methylbutan-2-yl)-1H-indole (PubChem CID 106985577) has the molecular formula C14H19NO and a molecular weight of 217.31 g/mol. Its IUPAC name is 5-methoxy-3-(2-methylbutan-2-yl)-1H-indole.

Molecular Properties

Compound Name5-methoxy-3-(2-methylbutan-2-yl)-1H-indole
PubChem CID106985577
Molecular FormulaC14H19NO
Molecular Weight217.31 g/mol
Exact Mass217.15
IUPAC Name5-methoxy-3-(2-methylbutan-2-yl)-1H-indole
SMILESCCC(C)(C)c1c[nH]c2ccc(OC)cc12
InChIInChI=1S/C14H19NO/c1-5-14(2,3)12-9-15-13-7-6-10(16-4)8-11(12)13/h6-9,15H,5H2,1-4H3
InChIKeyCFUNNWPRVBNIIE-UHFFFAOYSA-N
XLogP3.86
TPSA25.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-(5-methoxy-1H-indol-3-yl)-3-methylbutan-1-amine
CID 84627056
N-[2-(5-methoxy-1H-indol-3-yl)-2-methylpropyl]propane-1-sulfonamide
CID 113084400
2,2-difluoro-2-(5-methoxy-1H-indol-3-yl)ethanamine;hydrochloride
CID 73424996
N-[2-(5-methoxy-1H-indol-3-yl)-2-methylpropyl]-2-(4-methoxyphenyl)acetamide
CID 113084367
[2,2-difluoro-2-(5-methoxy-1H-indol-3-yl)ethyl]azanium chloride
CID 11076269
N-[2-(5-methoxy-1H-indol-3-yl)-2-methylpropyl]benzamide
CID 113084348
N-[2-(5-methoxy-1H-indol-3-yl)-2-methylpropyl]cyclopropanecarboxamide
CID 113084339
N-[2-(5-methoxy-1H-indol-3-yl)-2-methylpropyl]-3-phenoxypropanamide
CID 113084371
ethyl 4,4,4-trifluoro-3-hydroxy-3-(5-methoxy-1H-indol-3-yl)butanoate
CID 23237337
3-bromo-5-methoxy-1H-indole;ethane
CID 145418707
4-methoxy-2-(2-methylbutan-2-yl)phenol
CID 11557455
2-fluoro-4-methoxy-1-(2-methylbutan-2-yl)benzene
CID 134360467

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-3-(2-methylbutan-2-yl)-1H-indole?
The IUPAC name of 5-methoxy-3-(2-methylbutan-2-yl)-1H-indole (CID 106985577) is 5-methoxy-3-(2-methylbutan-2-yl)-1H-indole.
What is the SMILES notation for 5-methoxy-3-(2-methylbutan-2-yl)-1H-indole?
The canonical SMILES for 5-methoxy-3-(2-methylbutan-2-yl)-1H-indole is CCC(C)(C)c1c[nH]c2ccc(OC)cc12.
What is the InChIKey of 5-methoxy-3-(2-methylbutan-2-yl)-1H-indole?
The InChIKey is CFUNNWPRVBNIIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO/c1-5-14(2,3)12-9-15-13-7-6-10(16-4)8-11(12)13/h6-9,15H,5H2,1-4H3.
What are the key properties of 5-methoxy-3-(2-methylbutan-2-yl)-1H-indole?
5-methoxy-3-(2-methylbutan-2-yl)-1H-indole has a molecular weight of 217.31 g/mol, XLogP of 3.86, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-3-(2-methylbutan-2-yl)-1H-indole is sourced from PubChem (CID 106985577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).