1-propan-2-yl-6-(pyridin-4-ylmethoxy)-2,3-dihydroindole

C17H20N2O — CID 118564551

IUPAC1-propan-2-yl-6-(pyridin-4-ylmethoxy)-2,3-dihydroindole
SMILESCC(C)N1CCc2ccc(OCc3ccncc3)cc21
InChIInChI=1S/C17H20N2O/c1-13(2)19-10-7-15-3-4-16(11-17(15)19)20-12-14-5-8-18-9-6-14/h3-6,8-9,11,13H,7,10,12H2,1-2H3
InChIKeyZRVXQITWDZNHHA-UHFFFAOYSA-N
MW268.36 g/mol
LogP3.43
Rot. Bonds4

About 1-propan-2-yl-6-(pyridin-4-ylmethoxy)-2,3-dihydroindole

1-propan-2-yl-6-(pyridin-4-ylmethoxy)-2,3-dihydroindole (PubChem CID 118564551) has the molecular formula C17H20N2O and a molecular weight of 268.36 g/mol. Its IUPAC name is 1-propan-2-yl-6-(pyridin-4-ylmethoxy)-2,3-dihydroindole.

Molecular Properties

Compound Name1-propan-2-yl-6-(pyridin-4-ylmethoxy)-2,3-dihydroindole
PubChem CID118564551
Molecular FormulaC17H20N2O
Molecular Weight268.36 g/mol
Exact Mass268.16
IUPAC Name1-propan-2-yl-6-(pyridin-4-ylmethoxy)-2,3-dihydroindole
SMILESCC(C)N1CCc2ccc(OCc3ccncc3)cc21
InChIInChI=1S/C17H20N2O/c1-13(2)19-10-7-15-3-4-16(11-17(15)19)20-12-14-5-8-18-9-6-14/h3-6,8-9,11,13H,7,10,12H2,1-2H3
InChIKeyZRVXQITWDZNHHA-UHFFFAOYSA-N
XLogP3.43
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-propan-2-yl-6-(pyridin-4-ylmethoxy)-2,3-dihydroindole 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-propan-2-yl-6-(pyridin-4-ylmethoxy)-2,3-dihydroindole?
The IUPAC name of 1-propan-2-yl-6-(pyridin-4-ylmethoxy)-2,3-dihydroindole (CID 118564551) is 1-propan-2-yl-6-(pyridin-4-ylmethoxy)-2,3-dihydroindole.
What is the SMILES notation for 1-propan-2-yl-6-(pyridin-4-ylmethoxy)-2,3-dihydroindole?
The canonical SMILES for 1-propan-2-yl-6-(pyridin-4-ylmethoxy)-2,3-dihydroindole is CC(C)N1CCc2ccc(OCc3ccncc3)cc21.
What is the InChIKey of 1-propan-2-yl-6-(pyridin-4-ylmethoxy)-2,3-dihydroindole?
The InChIKey is ZRVXQITWDZNHHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O/c1-13(2)19-10-7-15-3-4-16(11-17(15)19)20-12-14-5-8-18-9-6-14/h3-6,8-9,11,13H,7,10,12H2,1-2H3.
What are the key properties of 1-propan-2-yl-6-(pyridin-4-ylmethoxy)-2,3-dihydroindole?
1-propan-2-yl-6-(pyridin-4-ylmethoxy)-2,3-dihydroindole has a molecular weight of 268.36 g/mol, XLogP of 3.43, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yl-6-(pyridin-4-ylmethoxy)-2,3-dihydroindole is sourced from PubChem (CID 118564551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).