1-(4-methylsulfanylphenyl)ethanamine

C9H13NS — CID 3262982

IUPAC1-(4-methylsulfanylphenyl)ethanamine
SMILESCSc1ccc(C(C)N)cc1
InChIInChI=1S/C9H13NS/c1-7(10)8-3-5-9(11-2)6-4-8/h3-7H,10H2,1-2H3
InChIKeyYOYGMCGRAMSGSR-UHFFFAOYSA-N
MW167.28 g/mol
LogP2.43
Rot. Bonds2

About 1-(4-methylsulfanylphenyl)ethanamine

1-(4-methylsulfanylphenyl)ethanamine (PubChem CID 3262982) has the molecular formula C9H13NS and a molecular weight of 167.28 g/mol. Its IUPAC name is 1-(4-methylsulfanylphenyl)ethanamine.

Molecular Properties

Compound Name1-(4-methylsulfanylphenyl)ethanamine
PubChem CID3262982
Molecular FormulaC9H13NS
Molecular Weight167.28 g/mol
Exact Mass167.08
IUPAC Name1-(4-methylsulfanylphenyl)ethanamine
SMILESCSc1ccc(C(C)N)cc1
InChIInChI=1S/C9H13NS/c1-7(10)8-3-5-9(11-2)6-4-8/h3-7H,10H2,1-2H3
InChIKeyYOYGMCGRAMSGSR-UHFFFAOYSA-N
XLogP2.43
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.28
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methylsulfanylphenyl)ethanamine?
The IUPAC name of 1-(4-methylsulfanylphenyl)ethanamine (CID 3262982) is 1-(4-methylsulfanylphenyl)ethanamine.
What is the SMILES notation for 1-(4-methylsulfanylphenyl)ethanamine?
The canonical SMILES for 1-(4-methylsulfanylphenyl)ethanamine is CSc1ccc(C(C)N)cc1.
What is the InChIKey of 1-(4-methylsulfanylphenyl)ethanamine?
The InChIKey is YOYGMCGRAMSGSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NS/c1-7(10)8-3-5-9(11-2)6-4-8/h3-7H,10H2,1-2H3.
What are the key properties of 1-(4-methylsulfanylphenyl)ethanamine?
1-(4-methylsulfanylphenyl)ethanamine has a molecular weight of 167.28 g/mol, XLogP of 2.43, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylsulfanylphenyl)ethanamine is sourced from PubChem (CID 3262982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).