2-[2-(2,6-dimethylphenyl)phenyl]sulfanyl-N,N-dimethylethanamine

C18H23NS — CID 46233383

IUPAC2-[2-(2,6-dimethylphenyl)phenyl]sulfanyl-N,N-dimethylethanamine
SMILESCc1cccc(C)c1-c1ccccc1SCCN(C)C
InChIInChI=1S/C18H23NS/c1-14-8-7-9-15(2)18(14)16-10-5-6-11-17(16)20-13-12-19(3)4/h5-11H,12-13H2,1-4H3
InChIKeyBMQNAZCGAAXTPA-UHFFFAOYSA-N
MW285.46 g/mol
LogP4.62
Rot. Bonds5

About 2-[2-(2,6-dimethylphenyl)phenyl]sulfanyl-N,N-dimethylethanamine

2-[2-(2,6-dimethylphenyl)phenyl]sulfanyl-N,N-dimethylethanamine (PubChem CID 46233383) has the molecular formula C18H23NS and a molecular weight of 285.46 g/mol. Its IUPAC name is 2-[2-(2,6-dimethylphenyl)phenyl]sulfanyl-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-[2-(2,6-dimethylphenyl)phenyl]sulfanyl-N,N-dimethylethanamine
PubChem CID46233383
Molecular FormulaC18H23NS
Molecular Weight285.46 g/mol
Exact Mass285.16
IUPAC Name2-[2-(2,6-dimethylphenyl)phenyl]sulfanyl-N,N-dimethylethanamine
SMILESCc1cccc(C)c1-c1ccccc1SCCN(C)C
InChIInChI=1S/C18H23NS/c1-14-8-7-9-15(2)18(14)16-10-5-6-11-17(16)20-13-12-19(3)4/h5-11H,12-13H2,1-4H3
InChIKeyBMQNAZCGAAXTPA-UHFFFAOYSA-N
XLogP4.62
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.46
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,6-dimethylphenyl)phenyl]sulfanyl-N,N-dimethylethanamine?
The IUPAC name of 2-[2-(2,6-dimethylphenyl)phenyl]sulfanyl-N,N-dimethylethanamine (CID 46233383) is 2-[2-(2,6-dimethylphenyl)phenyl]sulfanyl-N,N-dimethylethanamine.
What is the SMILES notation for 2-[2-(2,6-dimethylphenyl)phenyl]sulfanyl-N,N-dimethylethanamine?
The canonical SMILES for 2-[2-(2,6-dimethylphenyl)phenyl]sulfanyl-N,N-dimethylethanamine is Cc1cccc(C)c1-c1ccccc1SCCN(C)C.
What is the InChIKey of 2-[2-(2,6-dimethylphenyl)phenyl]sulfanyl-N,N-dimethylethanamine?
The InChIKey is BMQNAZCGAAXTPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NS/c1-14-8-7-9-15(2)18(14)16-10-5-6-11-17(16)20-13-12-19(3)4/h5-11H,12-13H2,1-4H3.
What are the key properties of 2-[2-(2,6-dimethylphenyl)phenyl]sulfanyl-N,N-dimethylethanamine?
2-[2-(2,6-dimethylphenyl)phenyl]sulfanyl-N,N-dimethylethanamine has a molecular weight of 285.46 g/mol, XLogP of 4.62, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,6-dimethylphenyl)phenyl]sulfanyl-N,N-dimethylethanamine is sourced from PubChem (CID 46233383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).