1,6-dimethyl-2-(propan-2-yloxymethyl)indole

C14H19NO — CID 117185984

IUPAC1,6-dimethyl-2-(propan-2-yloxymethyl)indole
SMILESCc1ccc2cc(COC(C)C)n(C)c2c1
InChIInChI=1S/C14H19NO/c1-10(2)16-9-13-8-12-6-5-11(3)7-14(12)15(13)4/h5-8,10H,9H2,1-4H3
InChIKeyKLCCKVMWLBGLHT-UHFFFAOYSA-N
MW217.31 g/mol
LogP3.41
Rot. Bonds3

About 1,6-dimethyl-2-(propan-2-yloxymethyl)indole

1,6-dimethyl-2-(propan-2-yloxymethyl)indole (PubChem CID 117185984) has the molecular formula C14H19NO and a molecular weight of 217.31 g/mol. Its IUPAC name is 1,6-dimethyl-2-(propan-2-yloxymethyl)indole.

Molecular Properties

Compound Name1,6-dimethyl-2-(propan-2-yloxymethyl)indole
PubChem CID117185984
Molecular FormulaC14H19NO
Molecular Weight217.31 g/mol
Exact Mass217.15
IUPAC Name1,6-dimethyl-2-(propan-2-yloxymethyl)indole
SMILESCc1ccc2cc(COC(C)C)n(C)c2c1
InChIInChI=1S/C14H19NO/c1-10(2)16-9-13-8-12-6-5-11(3)7-14(12)15(13)4/h5-8,10H,9H2,1-4H3
InChIKeyKLCCKVMWLBGLHT-UHFFFAOYSA-N
XLogP3.41
TPSA14.16 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1,6-dimethyl-2-(propan-2-yloxymethyl)indole 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 1,6-dimethyl-2-(propan-2-yloxymethyl)indole?
The IUPAC name of 1,6-dimethyl-2-(propan-2-yloxymethyl)indole (CID 117185984) is 1,6-dimethyl-2-(propan-2-yloxymethyl)indole.
What is the SMILES notation for 1,6-dimethyl-2-(propan-2-yloxymethyl)indole?
The canonical SMILES for 1,6-dimethyl-2-(propan-2-yloxymethyl)indole is Cc1ccc2cc(COC(C)C)n(C)c2c1.
What is the InChIKey of 1,6-dimethyl-2-(propan-2-yloxymethyl)indole?
The InChIKey is KLCCKVMWLBGLHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO/c1-10(2)16-9-13-8-12-6-5-11(3)7-14(12)15(13)4/h5-8,10H,9H2,1-4H3.
What are the key properties of 1,6-dimethyl-2-(propan-2-yloxymethyl)indole?
1,6-dimethyl-2-(propan-2-yloxymethyl)indole has a molecular weight of 217.31 g/mol, XLogP of 3.41, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,6-dimethyl-2-(propan-2-yloxymethyl)indole is sourced from PubChem (CID 117185984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).