2-(3,4-dimethylphenyl)sulfanylethanamine

C10H15NS — CID 2529359

IUPAC2-(3,4-dimethylphenyl)sulfanylethanamine
SMILESCc1ccc(SCCN)cc1C
InChIInChI=1S/C10H15NS/c1-8-3-4-10(7-9(8)2)12-6-5-11/h3-4,7H,5-6,11H2,1-2H3
InChIKeyZBYSFBBOAZKLLO-UHFFFAOYSA-N
MW181.30 g/mol
LogP2.35
Rot. Bonds3

About 2-(3,4-dimethylphenyl)sulfanylethanamine

2-(3,4-dimethylphenyl)sulfanylethanamine (PubChem CID 2529359) has the molecular formula C10H15NS and a molecular weight of 181.30 g/mol. Its IUPAC name is 2-(3,4-dimethylphenyl)sulfanylethanamine.

Molecular Properties

Compound Name2-(3,4-dimethylphenyl)sulfanylethanamine
PubChem CID2529359
Molecular FormulaC10H15NS
Molecular Weight181.30 g/mol
Exact Mass181.09
IUPAC Name2-(3,4-dimethylphenyl)sulfanylethanamine
SMILESCc1ccc(SCCN)cc1C
InChIInChI=1S/C10H15NS/c1-8-3-4-10(7-9(8)2)12-6-5-11/h3-4,7H,5-6,11H2,1-2H3
InChIKeyZBYSFBBOAZKLLO-UHFFFAOYSA-N
XLogP2.35
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 ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethylphenyl)sulfanylethanamine?
The IUPAC name of 2-(3,4-dimethylphenyl)sulfanylethanamine (CID 2529359) is 2-(3,4-dimethylphenyl)sulfanylethanamine.
What is the SMILES notation for 2-(3,4-dimethylphenyl)sulfanylethanamine?
The canonical SMILES for 2-(3,4-dimethylphenyl)sulfanylethanamine is Cc1ccc(SCCN)cc1C.
What is the InChIKey of 2-(3,4-dimethylphenyl)sulfanylethanamine?
The InChIKey is ZBYSFBBOAZKLLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NS/c1-8-3-4-10(7-9(8)2)12-6-5-11/h3-4,7H,5-6,11H2,1-2H3.
What are the key properties of 2-(3,4-dimethylphenyl)sulfanylethanamine?
2-(3,4-dimethylphenyl)sulfanylethanamine has a molecular weight of 181.30 g/mol, XLogP of 2.35, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethylphenyl)sulfanylethanamine is sourced from PubChem (CID 2529359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).