2-phenylselanyl-N-(2-phenylselanylethyl)ethanamine

C16H19NSe2 — CID 2795070

IUPAC2-phenylselanyl-N-(2-phenylselanylethyl)ethanamine
SMILESc1ccc([Se]CCNCC[Se]c2ccccc2)cc1
InChIInChI=1S/C16H19NSe2/c1-3-7-15(8-4-1)18-13-11-17-12-14-19-16-9-5-2-6-10-16/h1-10,17H,11-14H2
InChIKeyXTRRFNLRZSLMFN-UHFFFAOYSA-N
MW383.25 g/mol
LogP1.47
Rot. Bonds8

About 2-phenylselanyl-N-(2-phenylselanylethyl)ethanamine

2-phenylselanyl-N-(2-phenylselanylethyl)ethanamine (PubChem CID 2795070) has the molecular formula C16H19NSe2 and a molecular weight of 383.25 g/mol. Its IUPAC name is 2-phenylselanyl-N-(2-phenylselanylethyl)ethanamine.

Molecular Properties

Compound Name2-phenylselanyl-N-(2-phenylselanylethyl)ethanamine
PubChem CID2795070
Molecular FormulaC16H19NSe2
Molecular Weight383.25 g/mol
Exact Mass384.98
IUPAC Name2-phenylselanyl-N-(2-phenylselanylethyl)ethanamine
SMILESc1ccc([Se]CCNCC[Se]c2ccccc2)cc1
InChIInChI=1S/C16H19NSe2/c1-3-7-15(8-4-1)18-13-11-17-12-14-19-16-9-5-2-6-10-16/h1-10,17H,11-14H2
InChIKeyXTRRFNLRZSLMFN-UHFFFAOYSA-N
XLogP1.47
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.25
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-phenylselanyl-N-(2-phenylselanylethyl)ethanamine 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 2-phenylselanyl-N-(2-phenylselanylethyl)ethanamine?
The IUPAC name of 2-phenylselanyl-N-(2-phenylselanylethyl)ethanamine (CID 2795070) is 2-phenylselanyl-N-(2-phenylselanylethyl)ethanamine.
What is the SMILES notation for 2-phenylselanyl-N-(2-phenylselanylethyl)ethanamine?
The canonical SMILES for 2-phenylselanyl-N-(2-phenylselanylethyl)ethanamine is c1ccc([Se]CCNCC[Se]c2ccccc2)cc1.
What is the InChIKey of 2-phenylselanyl-N-(2-phenylselanylethyl)ethanamine?
The InChIKey is XTRRFNLRZSLMFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NSe2/c1-3-7-15(8-4-1)18-13-11-17-12-14-19-16-9-5-2-6-10-16/h1-10,17H,11-14H2.
What are the key properties of 2-phenylselanyl-N-(2-phenylselanylethyl)ethanamine?
2-phenylselanyl-N-(2-phenylselanylethyl)ethanamine has a molecular weight of 383.25 g/mol, XLogP of 1.47, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenylselanyl-N-(2-phenylselanylethyl)ethanamine is sourced from PubChem (CID 2795070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).