2-(5-methyl-2-methylsulfanylphenyl)ethanamine

C10H15NS — CID 82264920

IUPAC2-(5-methyl-2-methylsulfanylphenyl)ethanamine
SMILESCSc1ccc(C)cc1CCN
InChIInChI=1S/C10H15NS/c1-8-3-4-10(12-2)9(7-8)5-6-11/h3-4,7H,5-6,11H2,1-2H3
InChIKeySDIUXMTWVPQHKA-UHFFFAOYSA-N
MW181.30 g/mol
LogP2.22
Rot. Bonds3

About 2-(5-methyl-2-methylsulfanylphenyl)ethanamine

2-(5-methyl-2-methylsulfanylphenyl)ethanamine (PubChem CID 82264920) has the molecular formula C10H15NS and a molecular weight of 181.30 g/mol. Its IUPAC name is 2-(5-methyl-2-methylsulfanylphenyl)ethanamine.

Molecular Properties

Compound Name2-(5-methyl-2-methylsulfanylphenyl)ethanamine
PubChem CID82264920
Molecular FormulaC10H15NS
Molecular Weight181.30 g/mol
Exact Mass181.09
IUPAC Name2-(5-methyl-2-methylsulfanylphenyl)ethanamine
SMILESCSc1ccc(C)cc1CCN
InChIInChI=1S/C10H15NS/c1-8-3-4-10(12-2)9(7-8)5-6-11/h3-4,7H,5-6,11H2,1-2H3
InChIKeySDIUXMTWVPQHKA-UHFFFAOYSA-N
XLogP2.22
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 ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(5-methyl-2-methylsulfanylphenyl)ethanamine?
The IUPAC name of 2-(5-methyl-2-methylsulfanylphenyl)ethanamine (CID 82264920) is 2-(5-methyl-2-methylsulfanylphenyl)ethanamine.
What is the SMILES notation for 2-(5-methyl-2-methylsulfanylphenyl)ethanamine?
The canonical SMILES for 2-(5-methyl-2-methylsulfanylphenyl)ethanamine is CSc1ccc(C)cc1CCN.
What is the InChIKey of 2-(5-methyl-2-methylsulfanylphenyl)ethanamine?
The InChIKey is SDIUXMTWVPQHKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NS/c1-8-3-4-10(12-2)9(7-8)5-6-11/h3-4,7H,5-6,11H2,1-2H3.
What are the key properties of 2-(5-methyl-2-methylsulfanylphenyl)ethanamine?
2-(5-methyl-2-methylsulfanylphenyl)ethanamine has a molecular weight of 181.30 g/mol, XLogP of 2.22, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methyl-2-methylsulfanylphenyl)ethanamine is sourced from PubChem (CID 82264920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).