2-(2,6-dimethylphenyl)sulfanyl-1-phenylethanamine

C16H19NS — CID 56662743

IUPAC2-(2,6-dimethylphenyl)sulfanyl-1-phenylethanamine
SMILESCc1cccc(C)c1SCC(N)c1ccccc1
InChIInChI=1S/C16H19NS/c1-12-7-6-8-13(2)16(12)18-11-15(17)14-9-4-3-5-10-14/h3-10,15H,11,17H2,1-2H3
InChIKeyGYWGQEQEHSQUQC-UHFFFAOYSA-N
MW257.40 g/mol
LogP4.10
Rot. Bonds4

About 2-(2,6-dimethylphenyl)sulfanyl-1-phenylethanamine

2-(2,6-dimethylphenyl)sulfanyl-1-phenylethanamine (PubChem CID 56662743) has the molecular formula C16H19NS and a molecular weight of 257.40 g/mol. Its IUPAC name is 2-(2,6-dimethylphenyl)sulfanyl-1-phenylethanamine.

Molecular Properties

Compound Name2-(2,6-dimethylphenyl)sulfanyl-1-phenylethanamine
PubChem CID56662743
Molecular FormulaC16H19NS
Molecular Weight257.40 g/mol
Exact Mass257.12
IUPAC Name2-(2,6-dimethylphenyl)sulfanyl-1-phenylethanamine
SMILESCc1cccc(C)c1SCC(N)c1ccccc1
InChIInChI=1S/C16H19NS/c1-12-7-6-8-13(2)16(12)18-11-15(17)14-9-4-3-5-10-14/h3-10,15H,11,17H2,1-2H3
InChIKeyGYWGQEQEHSQUQC-UHFFFAOYSA-N
XLogP4.10
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.40
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dimethylphenyl)sulfanyl-1-phenylethanamine?
The IUPAC name of 2-(2,6-dimethylphenyl)sulfanyl-1-phenylethanamine (CID 56662743) is 2-(2,6-dimethylphenyl)sulfanyl-1-phenylethanamine.
What is the SMILES notation for 2-(2,6-dimethylphenyl)sulfanyl-1-phenylethanamine?
The canonical SMILES for 2-(2,6-dimethylphenyl)sulfanyl-1-phenylethanamine is Cc1cccc(C)c1SCC(N)c1ccccc1.
What is the InChIKey of 2-(2,6-dimethylphenyl)sulfanyl-1-phenylethanamine?
The InChIKey is GYWGQEQEHSQUQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NS/c1-12-7-6-8-13(2)16(12)18-11-15(17)14-9-4-3-5-10-14/h3-10,15H,11,17H2,1-2H3.
What are the key properties of 2-(2,6-dimethylphenyl)sulfanyl-1-phenylethanamine?
2-(2,6-dimethylphenyl)sulfanyl-1-phenylethanamine has a molecular weight of 257.40 g/mol, XLogP of 4.10, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dimethylphenyl)sulfanyl-1-phenylethanamine is sourced from PubChem (CID 56662743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).