2-(2-ethylsulfanylphenyl)ethanamine

C10H15NS — CID 22379539

IUPAC2-(2-ethylsulfanylphenyl)ethanamine
SMILESCCSc1ccccc1CCN
InChIInChI=1S/C10H15NS/c1-2-12-10-6-4-3-5-9(10)7-8-11/h3-6H,2,7-8,11H2,1H3
InChIKeyNIBONBPTLNZGKS-UHFFFAOYSA-N
MW181.30 g/mol
LogP2.30
Rot. Bonds4

About 2-(2-ethylsulfanylphenyl)ethanamine

2-(2-ethylsulfanylphenyl)ethanamine (PubChem CID 22379539) has the molecular formula C10H15NS and a molecular weight of 181.30 g/mol. Its IUPAC name is 2-(2-ethylsulfanylphenyl)ethanamine.

Molecular Properties

Compound Name2-(2-ethylsulfanylphenyl)ethanamine
PubChem CID22379539
Molecular FormulaC10H15NS
Molecular Weight181.30 g/mol
Exact Mass181.09
IUPAC Name2-(2-ethylsulfanylphenyl)ethanamine
SMILESCCSc1ccccc1CCN
InChIInChI=1S/C10H15NS/c1-2-12-10-6-4-3-5-9(10)7-8-11/h3-6H,2,7-8,11H2,1H3
InChIKeyNIBONBPTLNZGKS-UHFFFAOYSA-N
XLogP2.30
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.30
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-ethylsulfanylphenyl)ethanamine?
The IUPAC name of 2-(2-ethylsulfanylphenyl)ethanamine (CID 22379539) is 2-(2-ethylsulfanylphenyl)ethanamine.
What is the SMILES notation for 2-(2-ethylsulfanylphenyl)ethanamine?
The canonical SMILES for 2-(2-ethylsulfanylphenyl)ethanamine is CCSc1ccccc1CCN.
What is the InChIKey of 2-(2-ethylsulfanylphenyl)ethanamine?
The InChIKey is NIBONBPTLNZGKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NS/c1-2-12-10-6-4-3-5-9(10)7-8-11/h3-6H,2,7-8,11H2,1H3.
What are the key properties of 2-(2-ethylsulfanylphenyl)ethanamine?
2-(2-ethylsulfanylphenyl)ethanamine has a molecular weight of 181.30 g/mol, XLogP of 2.30, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethylsulfanylphenyl)ethanamine is sourced from PubChem (CID 22379539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).