2-(1-benzoselenophen-3-yl)ethanamine

C10H11NSe — CID 167469332

IUPAC2-(1-benzoselenophen-3-yl)ethanamine
SMILESNCCc1c[se]c2ccccc12
InChIInChI=1S/C10H11NSe/c11-6-5-8-7-12-10-4-2-1-3-9(8)10/h1-4,7H,5-6,11H2
InChIKeyNDOFBZHPIHDNMZ-UHFFFAOYSA-N
MW224.17 g/mol
LogP1.40
Rot. Bonds2

About 2-(1-benzoselenophen-3-yl)ethanamine

2-(1-benzoselenophen-3-yl)ethanamine (PubChem CID 167469332) has the molecular formula C10H11NSe and a molecular weight of 224.17 g/mol. Its IUPAC name is 2-(1-benzoselenophen-3-yl)ethanamine.

Molecular Properties

Compound Name2-(1-benzoselenophen-3-yl)ethanamine
PubChem CID167469332
Molecular FormulaC10H11NSe
Molecular Weight224.17 g/mol
Exact Mass225.01
IUPAC Name2-(1-benzoselenophen-3-yl)ethanamine
SMILESNCCc1c[se]c2ccccc12
InChIInChI=1S/C10H11NSe/c11-6-5-8-7-12-10-4-2-1-3-9(8)10/h1-4,7H,5-6,11H2
InChIKeyNDOFBZHPIHDNMZ-UHFFFAOYSA-N
XLogP1.40
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.17
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(1-benzoselenophen-3-yl)ethanamine?
The IUPAC name of 2-(1-benzoselenophen-3-yl)ethanamine (CID 167469332) is 2-(1-benzoselenophen-3-yl)ethanamine.
What is the SMILES notation for 2-(1-benzoselenophen-3-yl)ethanamine?
The canonical SMILES for 2-(1-benzoselenophen-3-yl)ethanamine is NCCc1c[se]c2ccccc12.
What is the InChIKey of 2-(1-benzoselenophen-3-yl)ethanamine?
The InChIKey is NDOFBZHPIHDNMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NSe/c11-6-5-8-7-12-10-4-2-1-3-9(8)10/h1-4,7H,5-6,11H2.
What are the key properties of 2-(1-benzoselenophen-3-yl)ethanamine?
2-(1-benzoselenophen-3-yl)ethanamine has a molecular weight of 224.17 g/mol, XLogP of 1.40, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzoselenophen-3-yl)ethanamine is sourced from PubChem (CID 167469332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).