6-bromo-3-ethyl-1-(propoxymethyl)indole

C14H18BrNO — CID 70847043

IUPAC6-bromo-3-ethyl-1-(propoxymethyl)indole
SMILESCCCOCn1cc(CC)c2ccc(Br)cc21
InChIInChI=1S/C14H18BrNO/c1-3-7-17-10-16-9-11(4-2)13-6-5-12(15)8-14(13)16/h5-6,8-9H,3-4,7,10H2,1-2H3
InChIKeyDXSNTQZCQLWGHO-UHFFFAOYSA-N
MW296.21 g/mol
LogP4.35
Rot. Bonds5

About 6-bromo-3-ethyl-1-(propoxymethyl)indole

6-bromo-3-ethyl-1-(propoxymethyl)indole (PubChem CID 70847043) has the molecular formula C14H18BrNO and a molecular weight of 296.21 g/mol. Its IUPAC name is 6-bromo-3-ethyl-1-(propoxymethyl)indole.

Molecular Properties

Compound Name6-bromo-3-ethyl-1-(propoxymethyl)indole
PubChem CID70847043
Molecular FormulaC14H18BrNO
Molecular Weight296.21 g/mol
Exact Mass295.06
IUPAC Name6-bromo-3-ethyl-1-(propoxymethyl)indole
SMILESCCCOCn1cc(CC)c2ccc(Br)cc21
InChIInChI=1S/C14H18BrNO/c1-3-7-17-10-16-9-11(4-2)13-6-5-12(15)8-14(13)16/h5-6,8-9H,3-4,7,10H2,1-2H3
InChIKeyDXSNTQZCQLWGHO-UHFFFAOYSA-N
XLogP4.35
TPSA14.16 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.21
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 6-bromo-3-ethyl-1-(propoxymethyl)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 6-bromo-3-ethyl-1-(propoxymethyl)indole?
The IUPAC name of 6-bromo-3-ethyl-1-(propoxymethyl)indole (CID 70847043) is 6-bromo-3-ethyl-1-(propoxymethyl)indole.
What is the SMILES notation for 6-bromo-3-ethyl-1-(propoxymethyl)indole?
The canonical SMILES for 6-bromo-3-ethyl-1-(propoxymethyl)indole is CCCOCn1cc(CC)c2ccc(Br)cc21.
What is the InChIKey of 6-bromo-3-ethyl-1-(propoxymethyl)indole?
The InChIKey is DXSNTQZCQLWGHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrNO/c1-3-7-17-10-16-9-11(4-2)13-6-5-12(15)8-14(13)16/h5-6,8-9H,3-4,7,10H2,1-2H3.
What are the key properties of 6-bromo-3-ethyl-1-(propoxymethyl)indole?
6-bromo-3-ethyl-1-(propoxymethyl)indole has a molecular weight of 296.21 g/mol, XLogP of 4.35, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-3-ethyl-1-(propoxymethyl)indole is sourced from PubChem (CID 70847043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).