5-methoxy-1,2-dimethyl-3-propan-2-ylindole

C14H19NO — CID 167327667

IUPAC5-methoxy-1,2-dimethyl-3-propan-2-ylindole
SMILESCOc1ccc2c(c1)c(C(C)C)c(C)n2C
InChIInChI=1S/C14H19NO/c1-9(2)14-10(3)15(4)13-7-6-11(16-5)8-12(13)14/h6-9H,1-5H3
InChIKeyPHVSRGLDFGPVSX-UHFFFAOYSA-N
MW217.31 g/mol
LogP3.62
Rot. Bonds2

About 5-methoxy-1,2-dimethyl-3-propan-2-ylindole

5-methoxy-1,2-dimethyl-3-propan-2-ylindole (PubChem CID 167327667) has the molecular formula C14H19NO and a molecular weight of 217.31 g/mol. Its IUPAC name is 5-methoxy-1,2-dimethyl-3-propan-2-ylindole.

Molecular Properties

Compound Name5-methoxy-1,2-dimethyl-3-propan-2-ylindole
PubChem CID167327667
Molecular FormulaC14H19NO
Molecular Weight217.31 g/mol
Exact Mass217.15
IUPAC Name5-methoxy-1,2-dimethyl-3-propan-2-ylindole
SMILESCOc1ccc2c(c1)c(C(C)C)c(C)n2C
InChIInChI=1S/C14H19NO/c1-9(2)14-10(3)15(4)13-7-6-11(16-5)8-12(13)14/h6-9H,1-5H3
InChIKeyPHVSRGLDFGPVSX-UHFFFAOYSA-N
XLogP3.62
TPSA14.16 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-1,2-dimethyl-3-propan-2-ylindole?
The IUPAC name of 5-methoxy-1,2-dimethyl-3-propan-2-ylindole (CID 167327667) is 5-methoxy-1,2-dimethyl-3-propan-2-ylindole.
What is the SMILES notation for 5-methoxy-1,2-dimethyl-3-propan-2-ylindole?
The canonical SMILES for 5-methoxy-1,2-dimethyl-3-propan-2-ylindole is COc1ccc2c(c1)c(C(C)C)c(C)n2C.
What is the InChIKey of 5-methoxy-1,2-dimethyl-3-propan-2-ylindole?
The InChIKey is PHVSRGLDFGPVSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO/c1-9(2)14-10(3)15(4)13-7-6-11(16-5)8-12(13)14/h6-9H,1-5H3.
What are the key properties of 5-methoxy-1,2-dimethyl-3-propan-2-ylindole?
5-methoxy-1,2-dimethyl-3-propan-2-ylindole has a molecular weight of 217.31 g/mol, XLogP of 3.62, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-1,2-dimethyl-3-propan-2-ylindole is sourced from PubChem (CID 167327667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).