1-(4-ethylsulfanylphenyl)ethanamine

C10H15NS — CID 4046027

IUPAC1-(4-ethylsulfanylphenyl)ethanamine
SMILESCCSc1ccc(C(C)N)cc1
InChIInChI=1S/C10H15NS/c1-3-12-10-6-4-9(5-7-10)8(2)11/h4-8H,3,11H2,1-2H3
InChIKeyJPVWEKHGATUZRP-UHFFFAOYSA-N
MW181.30 g/mol
LogP2.82
Rot. Bonds3

About 1-(4-ethylsulfanylphenyl)ethanamine

1-(4-ethylsulfanylphenyl)ethanamine (PubChem CID 4046027) has the molecular formula C10H15NS and a molecular weight of 181.30 g/mol. Its IUPAC name is 1-(4-ethylsulfanylphenyl)ethanamine.

Molecular Properties

Compound Name1-(4-ethylsulfanylphenyl)ethanamine
PubChem CID4046027
Molecular FormulaC10H15NS
Molecular Weight181.30 g/mol
Exact Mass181.09
IUPAC Name1-(4-ethylsulfanylphenyl)ethanamine
SMILESCCSc1ccc(C(C)N)cc1
InChIInChI=1S/C10H15NS/c1-3-12-10-6-4-9(5-7-10)8(2)11/h4-8H,3,11H2,1-2H3
InChIKeyJPVWEKHGATUZRP-UHFFFAOYSA-N
XLogP2.82
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.30
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(4-ethylsulfanylphenyl)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 1-(4-ethylsulfanylphenyl)ethanamine?
The IUPAC name of 1-(4-ethylsulfanylphenyl)ethanamine (CID 4046027) is 1-(4-ethylsulfanylphenyl)ethanamine.
What is the SMILES notation for 1-(4-ethylsulfanylphenyl)ethanamine?
The canonical SMILES for 1-(4-ethylsulfanylphenyl)ethanamine is CCSc1ccc(C(C)N)cc1.
What is the InChIKey of 1-(4-ethylsulfanylphenyl)ethanamine?
The InChIKey is JPVWEKHGATUZRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NS/c1-3-12-10-6-4-9(5-7-10)8(2)11/h4-8H,3,11H2,1-2H3.
What are the key properties of 1-(4-ethylsulfanylphenyl)ethanamine?
1-(4-ethylsulfanylphenyl)ethanamine has a molecular weight of 181.30 g/mol, XLogP of 2.82, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylsulfanylphenyl)ethanamine is sourced from PubChem (CID 4046027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).