1-(2-methylbutyl)-5-propoxyindole

C16H23NO — CID 116625570

IUPAC1-(2-methylbutyl)-5-propoxyindole
SMILESCCCOc1ccc2c(ccn2CC(C)CC)c1
InChIInChI=1S/C16H23NO/c1-4-10-18-15-6-7-16-14(11-15)8-9-17(16)12-13(3)5-2/h6-9,11,13H,4-5,10,12H2,1-3H3
InChIKeyCRDKTGKEKDYZQW-UHFFFAOYSA-N
MW245.37 g/mol
LogP4.48
Rot. Bonds6

About 1-(2-methylbutyl)-5-propoxyindole

1-(2-methylbutyl)-5-propoxyindole (PubChem CID 116625570) has the molecular formula C16H23NO and a molecular weight of 245.37 g/mol. Its IUPAC name is 1-(2-methylbutyl)-5-propoxyindole.

Molecular Properties

Compound Name1-(2-methylbutyl)-5-propoxyindole
PubChem CID116625570
Molecular FormulaC16H23NO
Molecular Weight245.37 g/mol
Exact Mass245.18
IUPAC Name1-(2-methylbutyl)-5-propoxyindole
SMILESCCCOc1ccc2c(ccn2CC(C)CC)c1
InChIInChI=1S/C16H23NO/c1-4-10-18-15-6-7-16-14(11-15)8-9-17(16)12-13(3)5-2/h6-9,11,13H,4-5,10,12H2,1-3H3
InChIKeyCRDKTGKEKDYZQW-UHFFFAOYSA-N
XLogP4.48
TPSA14.16 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-(2-methylbutyl)-5-propoxyindole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylbutyl)-5-propoxyindole?
The IUPAC name of 1-(2-methylbutyl)-5-propoxyindole (CID 116625570) is 1-(2-methylbutyl)-5-propoxyindole.
What is the SMILES notation for 1-(2-methylbutyl)-5-propoxyindole?
The canonical SMILES for 1-(2-methylbutyl)-5-propoxyindole is CCCOc1ccc2c(ccn2CC(C)CC)c1.
What is the InChIKey of 1-(2-methylbutyl)-5-propoxyindole?
The InChIKey is CRDKTGKEKDYZQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO/c1-4-10-18-15-6-7-16-14(11-15)8-9-17(16)12-13(3)5-2/h6-9,11,13H,4-5,10,12H2,1-3H3.
What are the key properties of 1-(2-methylbutyl)-5-propoxyindole?
1-(2-methylbutyl)-5-propoxyindole has a molecular weight of 245.37 g/mol, XLogP of 4.48, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylbutyl)-5-propoxyindole is sourced from PubChem (CID 116625570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).