N-ethyl-2-(1-phenylselanylethyl)thiophen-3-amine

C14H17NSSe — CID 10781246

IUPACN-ethyl-2-(1-phenylselanylethyl)thiophen-3-amine
SMILESCCNc1ccsc1C(C)[Se]c1ccccc1
InChIInChI=1S/C14H17NSSe/c1-3-15-13-9-10-16-14(13)11(2)17-12-7-5-4-6-8-12/h4-11,15H,3H2,1-2H3
InChIKeyDGXOBDYPQJIGIQ-UHFFFAOYSA-N
MW310.32 g/mol
LogP3.27
Rot. Bonds5

About N-ethyl-2-(1-phenylselanylethyl)thiophen-3-amine

N-ethyl-2-(1-phenylselanylethyl)thiophen-3-amine (PubChem CID 10781246) has the molecular formula C14H17NSSe and a molecular weight of 310.32 g/mol. Its IUPAC name is N-ethyl-2-(1-phenylselanylethyl)thiophen-3-amine.

Molecular Properties

Compound NameN-ethyl-2-(1-phenylselanylethyl)thiophen-3-amine
PubChem CID10781246
Molecular FormulaC14H17NSSe
Molecular Weight310.32 g/mol
Exact Mass311.02
IUPAC NameN-ethyl-2-(1-phenylselanylethyl)thiophen-3-amine
SMILESCCNc1ccsc1C(C)[Se]c1ccccc1
InChIInChI=1S/C14H17NSSe/c1-3-15-13-9-10-16-14(13)11(2)17-12-7-5-4-6-8-12/h4-11,15H,3H2,1-2H3
InChIKeyDGXOBDYPQJIGIQ-UHFFFAOYSA-N
XLogP3.27
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.32
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-2-(1-phenylselanylpropyl)thiophen-3-amine
CID 10520010
1-N,2-N-diethylbenzene-1,2-diamine;hydrochloride
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2-(3-methylsulfanyl-1-phenylselanylpropyl)thiophen-3-amine
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N-ethyl-2-nitrothiophen-3-amine
CID 131104824
2-bromo-N-ethylaniline;hydrobromide
CID 175521152
2-[phenylselanyl(thiophen-2-yl)methyl]thiophen-3-amine
CID 10689189
2-[1-(3-aminothiophen-2-yl)-2-phenylselanylethyl]thiophen-3-amine
CID 10643422
N-ethylethanamine;(phenyldiselanyl)benzene
CID 87750147
2-(ethylamino)-N-(1-thiophen-2-ylpropan-2-yl)benzamide
CID 63107914
(2R)-1,1-bis(phenylselanyl)propan-2-ol
CID 71415322
CID 175798397
CID 175798397
(3R,4R,5S)-5-methoxy-4-phenylselanylhexan-3-ol
CID 134931525

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(1-phenylselanylethyl)thiophen-3-amine?
The IUPAC name of N-ethyl-2-(1-phenylselanylethyl)thiophen-3-amine (CID 10781246) is N-ethyl-2-(1-phenylselanylethyl)thiophen-3-amine.
What is the SMILES notation for N-ethyl-2-(1-phenylselanylethyl)thiophen-3-amine?
The canonical SMILES for N-ethyl-2-(1-phenylselanylethyl)thiophen-3-amine is CCNc1ccsc1C(C)[Se]c1ccccc1.
What is the InChIKey of N-ethyl-2-(1-phenylselanylethyl)thiophen-3-amine?
The InChIKey is DGXOBDYPQJIGIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NSSe/c1-3-15-13-9-10-16-14(13)11(2)17-12-7-5-4-6-8-12/h4-11,15H,3H2,1-2H3.
What are the key properties of N-ethyl-2-(1-phenylselanylethyl)thiophen-3-amine?
N-ethyl-2-(1-phenylselanylethyl)thiophen-3-amine has a molecular weight of 310.32 g/mol, XLogP of 3.27, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(1-phenylselanylethyl)thiophen-3-amine is sourced from PubChem (CID 10781246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).