1-(1-methoxypropan-2-yl)-2-methylindole

C13H17NO — CID 70527172

IUPAC1-(1-methoxypropan-2-yl)-2-methylindole
SMILESCOCC(C)n1c(C)cc2ccccc21
InChIInChI=1S/C13H17NO/c1-10-8-12-6-4-5-7-13(12)14(10)11(2)9-15-3/h4-8,11H,9H2,1-3H3
InChIKeyFRTKZCWANAWRDS-UHFFFAOYSA-N
MW203.28 g/mol
LogP3.16
Rot. Bonds3

About 1-(1-methoxypropan-2-yl)-2-methylindole

1-(1-methoxypropan-2-yl)-2-methylindole (PubChem CID 70527172) has the molecular formula C13H17NO and a molecular weight of 203.28 g/mol. Its IUPAC name is 1-(1-methoxypropan-2-yl)-2-methylindole.

Molecular Properties

Compound Name1-(1-methoxypropan-2-yl)-2-methylindole
PubChem CID70527172
Molecular FormulaC13H17NO
Molecular Weight203.28 g/mol
Exact Mass203.13
IUPAC Name1-(1-methoxypropan-2-yl)-2-methylindole
SMILESCOCC(C)n1c(C)cc2ccccc21
InChIInChI=1S/C13H17NO/c1-10-8-12-6-4-5-7-13(12)14(10)11(2)9-15-3/h4-8,11H,9H2,1-3H3
InChIKeyFRTKZCWANAWRDS-UHFFFAOYSA-N
XLogP3.16
TPSA14.16 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.28
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(1-methoxypropan-2-yl)-2-methylindole?
The IUPAC name of 1-(1-methoxypropan-2-yl)-2-methylindole (CID 70527172) is 1-(1-methoxypropan-2-yl)-2-methylindole.
What is the SMILES notation for 1-(1-methoxypropan-2-yl)-2-methylindole?
The canonical SMILES for 1-(1-methoxypropan-2-yl)-2-methylindole is COCC(C)n1c(C)cc2ccccc21.
What is the InChIKey of 1-(1-methoxypropan-2-yl)-2-methylindole?
The InChIKey is FRTKZCWANAWRDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO/c1-10-8-12-6-4-5-7-13(12)14(10)11(2)9-15-3/h4-8,11H,9H2,1-3H3.
What are the key properties of 1-(1-methoxypropan-2-yl)-2-methylindole?
1-(1-methoxypropan-2-yl)-2-methylindole has a molecular weight of 203.28 g/mol, XLogP of 3.16, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methoxypropan-2-yl)-2-methylindole is sourced from PubChem (CID 70527172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).