1-ethoxyindol-7-amine

C10H12N2O — CID 69254677

IUPAC1-ethoxyindol-7-amine
SMILESCCOn1ccc2cccc(N)c21
InChIInChI=1S/C10H12N2O/c1-2-13-12-7-6-8-4-3-5-9(11)10(8)12/h3-7H,2,11H2,1H3
InChIKeyAQWQFWYGOXIGDB-UHFFFAOYSA-N
MW176.22 g/mol
LogP1.67
Rot. Bonds2

About 1-ethoxyindol-7-amine

1-ethoxyindol-7-amine (PubChem CID 69254677) has the molecular formula C10H12N2O and a molecular weight of 176.22 g/mol. Its IUPAC name is 1-ethoxyindol-7-amine.

Molecular Properties

Compound Name1-ethoxyindol-7-amine
PubChem CID69254677
Molecular FormulaC10H12N2O
Molecular Weight176.22 g/mol
Exact Mass176.09
IUPAC Name1-ethoxyindol-7-amine
SMILESCCOn1ccc2cccc(N)c21
InChIInChI=1S/C10H12N2O/c1-2-13-12-7-6-8-4-3-5-9(11)10(8)12/h3-7H,2,11H2,1H3
InChIKeyAQWQFWYGOXIGDB-UHFFFAOYSA-N
XLogP1.67
TPSA40.18 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.22
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-ethoxyindol-7-amine?
The IUPAC name of 1-ethoxyindol-7-amine (CID 69254677) is 1-ethoxyindol-7-amine.
What is the SMILES notation for 1-ethoxyindol-7-amine?
The canonical SMILES for 1-ethoxyindol-7-amine is CCOn1ccc2cccc(N)c21.
What is the InChIKey of 1-ethoxyindol-7-amine?
The InChIKey is AQWQFWYGOXIGDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O/c1-2-13-12-7-6-8-4-3-5-9(11)10(8)12/h3-7H,2,11H2,1H3.
What are the key properties of 1-ethoxyindol-7-amine?
1-ethoxyindol-7-amine has a molecular weight of 176.22 g/mol, XLogP of 1.67, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxyindol-7-amine is sourced from PubChem (CID 69254677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).