5-methoxy-1-(2-methylbutyl)indole

C14H19NO — CID 116619323

IUPAC5-methoxy-1-(2-methylbutyl)indole
SMILESCCC(C)Cn1ccc2cc(OC)ccc21
InChIInChI=1S/C14H19NO/c1-4-11(2)10-15-8-7-12-9-13(16-3)5-6-14(12)15/h5-9,11H,4,10H2,1-3H3
InChIKeyQSKVKBOXNIDDSD-UHFFFAOYSA-N
MW217.31 g/mol
LogP3.70
Rot. Bonds4

About 5-methoxy-1-(2-methylbutyl)indole

5-methoxy-1-(2-methylbutyl)indole (PubChem CID 116619323) has the molecular formula C14H19NO and a molecular weight of 217.31 g/mol. Its IUPAC name is 5-methoxy-1-(2-methylbutyl)indole.

Molecular Properties

Compound Name5-methoxy-1-(2-methylbutyl)indole
PubChem CID116619323
Molecular FormulaC14H19NO
Molecular Weight217.31 g/mol
Exact Mass217.15
IUPAC Name5-methoxy-1-(2-methylbutyl)indole
SMILESCCC(C)Cn1ccc2cc(OC)ccc21
InChIInChI=1S/C14H19NO/c1-4-11(2)10-15-8-7-12-9-13(16-3)5-6-14(12)15/h5-9,11H,4,10H2,1-3H3
InChIKeyQSKVKBOXNIDDSD-UHFFFAOYSA-N
XLogP3.70
TPSA14.16 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-methylbutyl)-5-propoxyindole
CID 116625570
(2R)-2-deuterio-1-(5-methoxyindol-1-yl)-N,N-dimethylpropan-2-amine
CID 168762038
(2S)-2-amino-3-(5-methoxyindol-1-yl)propan-1-ol
CID 178146613
(1S,2R)-1-deuterio-1-(5-methoxyindol-1-yl)-N,N-dimethylpropan-2-amine
CID 168762111
1-(2-methylbutyl)indole-5-carbaldehyde
CID 102910471
1-(5-methoxyindol-1-yl)propan-2-yl methanesulfonate
CID 10684389
N-[(5-methoxyindol-1-yl)methyl]-N-propan-2-ylpropan-2-amine
CID 46704016
2-hydroxy-3-(5-methoxyindol-1-yl)propanal
CID 145175310
(2S)-3-(5-methoxyindol-1-yl)-2-(methylamino)propan-1-ol
CID 178146609
N-[2-(5-methoxyindol-1-yl)ethyl]pentan-3-amine
CID 62564592
3,3,3-trifluoro-2-[(5-methoxyindol-1-yl)methyl]propan-1-amine
CID 103366538
5-methoxy-1-prop-2-ynylindole
CID 45091362

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-1-(2-methylbutyl)indole?
The IUPAC name of 5-methoxy-1-(2-methylbutyl)indole (CID 116619323) is 5-methoxy-1-(2-methylbutyl)indole.
What is the SMILES notation for 5-methoxy-1-(2-methylbutyl)indole?
The canonical SMILES for 5-methoxy-1-(2-methylbutyl)indole is CCC(C)Cn1ccc2cc(OC)ccc21.
What is the InChIKey of 5-methoxy-1-(2-methylbutyl)indole?
The InChIKey is QSKVKBOXNIDDSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO/c1-4-11(2)10-15-8-7-12-9-13(16-3)5-6-14(12)15/h5-9,11H,4,10H2,1-3H3.
What are the key properties of 5-methoxy-1-(2-methylbutyl)indole?
5-methoxy-1-(2-methylbutyl)indole has a molecular weight of 217.31 g/mol, XLogP of 3.70, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-1-(2-methylbutyl)indole is sourced from PubChem (CID 116619323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).