2-(2,5-dimethylphenyl)sulfanyl-2-phenylethanamine

C16H19NS — CID 55017309

IUPAC2-(2,5-dimethylphenyl)sulfanyl-2-phenylethanamine
SMILESCc1ccc(C)c(SC(CN)c2ccccc2)c1
InChIInChI=1S/C16H19NS/c1-12-8-9-13(2)15(10-12)18-16(11-17)14-6-4-3-5-7-14/h3-10,16H,11,17H2,1-2H3
InChIKeyCNTLRRNEDWWUQW-UHFFFAOYSA-N
MW257.40 g/mol
LogP4.10
Rot. Bonds4

About 2-(2,5-dimethylphenyl)sulfanyl-2-phenylethanamine

2-(2,5-dimethylphenyl)sulfanyl-2-phenylethanamine (PubChem CID 55017309) has the molecular formula C16H19NS and a molecular weight of 257.40 g/mol. Its IUPAC name is 2-(2,5-dimethylphenyl)sulfanyl-2-phenylethanamine.

Molecular Properties

Compound Name2-(2,5-dimethylphenyl)sulfanyl-2-phenylethanamine
PubChem CID55017309
Molecular FormulaC16H19NS
Molecular Weight257.40 g/mol
Exact Mass257.12
IUPAC Name2-(2,5-dimethylphenyl)sulfanyl-2-phenylethanamine
SMILESCc1ccc(C)c(SC(CN)c2ccccc2)c1
InChIInChI=1S/C16H19NS/c1-12-8-9-13(2)15(10-12)18-16(11-17)14-6-4-3-5-7-14/h3-10,16H,11,17H2,1-2H3
InChIKeyCNTLRRNEDWWUQW-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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Related Compounds

2-(4-methylphenyl)-2-phenylsulfanylethanamine
CID 55016324
2-(4-fluorophenyl)-2-(2-methylphenyl)sulfanylethanamine
CID 55014987
2-(2-chlorophenyl)sulfanyl-2-phenylethanamine
CID 55017174
2-(2,5-dimethylphenyl)sulfanyl-1-phenylethanamine
CID 55241118
2-(2,5-dimethylphenyl)sulfanyl-2-phenylacetamide
CID 18138315
2-(4-chlorophenyl)-2-(2-methylphenyl)sulfanylethanamine
CID 55014728
2-(2-amino-1-phenylethyl)sulfanyl-2-phenylethanamine;hydrochloride
CID 23620363
2-(2-amino-1-phenylethyl)sulfanyl-2-phenylethanamine
CID 23620364
1-(2,5-dimethylphenyl)sulfanylethanamine
CID 117032475
2-(4-methylphenyl)-2-pyrimidin-2-ylsulfanylethanamine
CID 55016607
2-(2-methylphenyl)-2-(2-methylphenyl)sulfanylethanamine
CID 55019111
2-(3,4-difluorophenyl)sulfanyl-2-(4-methylphenyl)ethanamine
CID 55016654

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethylphenyl)sulfanyl-2-phenylethanamine?
The IUPAC name of 2-(2,5-dimethylphenyl)sulfanyl-2-phenylethanamine (CID 55017309) is 2-(2,5-dimethylphenyl)sulfanyl-2-phenylethanamine.
What is the SMILES notation for 2-(2,5-dimethylphenyl)sulfanyl-2-phenylethanamine?
The canonical SMILES for 2-(2,5-dimethylphenyl)sulfanyl-2-phenylethanamine is Cc1ccc(C)c(SC(CN)c2ccccc2)c1.
What is the InChIKey of 2-(2,5-dimethylphenyl)sulfanyl-2-phenylethanamine?
The InChIKey is CNTLRRNEDWWUQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NS/c1-12-8-9-13(2)15(10-12)18-16(11-17)14-6-4-3-5-7-14/h3-10,16H,11,17H2,1-2H3.
What are the key properties of 2-(2,5-dimethylphenyl)sulfanyl-2-phenylethanamine?
2-(2,5-dimethylphenyl)sulfanyl-2-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-(2,5-dimethylphenyl)sulfanyl-2-phenylethanamine is sourced from PubChem (CID 55017309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).