2-(4-methylsulfanylphenyl)ethanamine

C9H13NS — CID 10535094

IUPAC2-(4-methylsulfanylphenyl)ethanamine
SMILESCSc1ccc(CCN)cc1
InChIInChI=1S/C9H13NS/c1-11-9-4-2-8(3-5-9)6-7-10/h2-5H,6-7,10H2,1H3
InChIKeyUMURWDSHMNEMOR-UHFFFAOYSA-N
MW167.28 g/mol
LogP1.91
Rot. Bonds3

About 2-(4-methylsulfanylphenyl)ethanamine

2-(4-methylsulfanylphenyl)ethanamine (PubChem CID 10535094) has the molecular formula C9H13NS and a molecular weight of 167.28 g/mol. Its IUPAC name is 2-(4-methylsulfanylphenyl)ethanamine.

Molecular Properties

Compound Name2-(4-methylsulfanylphenyl)ethanamine
PubChem CID10535094
Molecular FormulaC9H13NS
Molecular Weight167.28 g/mol
Exact Mass167.08
IUPAC Name2-(4-methylsulfanylphenyl)ethanamine
SMILESCSc1ccc(CCN)cc1
InChIInChI=1S/C9H13NS/c1-11-9-4-2-8(3-5-9)6-7-10/h2-5H,6-7,10H2,1H3
InChIKeyUMURWDSHMNEMOR-UHFFFAOYSA-N
XLogP1.91
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.28
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methylsulfanylphenyl)ethanamine?
The IUPAC name of 2-(4-methylsulfanylphenyl)ethanamine (CID 10535094) is 2-(4-methylsulfanylphenyl)ethanamine.
What is the SMILES notation for 2-(4-methylsulfanylphenyl)ethanamine?
The canonical SMILES for 2-(4-methylsulfanylphenyl)ethanamine is CSc1ccc(CCN)cc1.
What is the InChIKey of 2-(4-methylsulfanylphenyl)ethanamine?
The InChIKey is UMURWDSHMNEMOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NS/c1-11-9-4-2-8(3-5-9)6-7-10/h2-5H,6-7,10H2,1H3.
What are the key properties of 2-(4-methylsulfanylphenyl)ethanamine?
2-(4-methylsulfanylphenyl)ethanamine has a molecular weight of 167.28 g/mol, XLogP of 1.91, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylsulfanylphenyl)ethanamine is sourced from PubChem (CID 10535094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).