N-ethoxy-1H-indol-6-amine;dihydrobromide

C10H14Br2N2O — CID 140506919

IUPACN-ethoxy-1H-indol-6-amine;dihydrobromide
SMILESBr.Br.CCONc1ccc2cc[nH]c2c1
InChIInChI=1S/C10H12N2O.2BrH/c1-2-13-12-9-4-3-8-5-6-11-10(8)7-9;;/h3-7,11-12H,2H2,1H3;2*1H
InChIKeyBQKGPFPIJVZUFI-UHFFFAOYSA-N
MW338.04 g/mol
LogP3.69
Rot. Bonds3

About N-ethoxy-1H-indol-6-amine;dihydrobromide

N-ethoxy-1H-indol-6-amine;dihydrobromide (PubChem CID 140506919) has the molecular formula C10H14Br2N2O and a molecular weight of 338.04 g/mol. Its IUPAC name is N-ethoxy-1H-indol-6-amine;dihydrobromide.

Molecular Properties

Compound NameN-ethoxy-1H-indol-6-amine;dihydrobromide
PubChem CID140506919
Molecular FormulaC10H14Br2N2O
Molecular Weight338.04 g/mol
Exact Mass335.95
IUPAC NameN-ethoxy-1H-indol-6-amine;dihydrobromide
SMILESBr.Br.CCONc1ccc2cc[nH]c2c1
InChIInChI=1S/C10H12N2O.2BrH/c1-2-13-12-9-4-3-8-5-6-11-10(8)7-9;;/h3-7,11-12H,2H2,1H3;2*1H
InChIKeyBQKGPFPIJVZUFI-UHFFFAOYSA-N
XLogP3.69
TPSA37.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.04
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-ethoxy-1H-indol-6-amine;dihydrobromide?
The IUPAC name of N-ethoxy-1H-indol-6-amine;dihydrobromide (CID 140506919) is N-ethoxy-1H-indol-6-amine;dihydrobromide.
What is the SMILES notation for N-ethoxy-1H-indol-6-amine;dihydrobromide?
The canonical SMILES for N-ethoxy-1H-indol-6-amine;dihydrobromide is Br.Br.CCONc1ccc2cc[nH]c2c1.
What is the InChIKey of N-ethoxy-1H-indol-6-amine;dihydrobromide?
The InChIKey is BQKGPFPIJVZUFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O.2BrH/c1-2-13-12-9-4-3-8-5-6-11-10(8)7-9;;/h3-7,11-12H,2H2,1H3;2*1H.
What are the key properties of N-ethoxy-1H-indol-6-amine;dihydrobromide?
N-ethoxy-1H-indol-6-amine;dihydrobromide has a molecular weight of 338.04 g/mol, XLogP of 3.69, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethoxy-1H-indol-6-amine;dihydrobromide is sourced from PubChem (CID 140506919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).