1-(4-methylsulfanylphenyl)-2-phenylethanamine

C15H17NS — CID 79217379

IUPAC1-(4-methylsulfanylphenyl)-2-phenylethanamine
SMILESCSc1ccc(C(N)Cc2ccccc2)cc1
InChIInChI=1S/C15H17NS/c1-17-14-9-7-13(8-10-14)15(16)11-12-5-3-2-4-6-12/h2-10,15H,11,16H2,1H3
InChIKeyDAWPPKMXFLIUAR-UHFFFAOYSA-N
MW243.38 g/mol
LogP3.65
Rot. Bonds4

About 1-(4-methylsulfanylphenyl)-2-phenylethanamine

1-(4-methylsulfanylphenyl)-2-phenylethanamine (PubChem CID 79217379) has the molecular formula C15H17NS and a molecular weight of 243.38 g/mol. Its IUPAC name is 1-(4-methylsulfanylphenyl)-2-phenylethanamine.

Molecular Properties

Compound Name1-(4-methylsulfanylphenyl)-2-phenylethanamine
PubChem CID79217379
Molecular FormulaC15H17NS
Molecular Weight243.38 g/mol
Exact Mass243.11
IUPAC Name1-(4-methylsulfanylphenyl)-2-phenylethanamine
SMILESCSc1ccc(C(N)Cc2ccccc2)cc1
InChIInChI=1S/C15H17NS/c1-17-14-9-7-13(8-10-14)15(16)11-12-5-3-2-4-6-12/h2-10,15H,11,16H2,1H3
InChIKeyDAWPPKMXFLIUAR-UHFFFAOYSA-N
XLogP3.65
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.38
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-iodophenyl)-1-(4-methylsulfanylphenyl)ethanamine
CID 115864349
2-(4-chlorophenyl)-1-(4-methylsulfanylphenyl)ethanamine
CID 79217380
2-(3-fluorophenyl)-1-(4-methylsulfanylphenyl)ethanamine
CID 79217792
2-(3,5-dimethylphenyl)-1-(4-methylsulfanylphenyl)ethanamine
CID 115800677
(1S,2R)-1-amino-1-(4-methylsulfanylphenyl)-3-phenylpropan-2-ol;hydrochloride
CID 171270436
2-(2-chlorophenyl)-1-(4-methylsulfanylphenyl)ethanamine
CID 79217518
2-phenyl-1-(4-propylphenyl)ethanamine
CID 43100730
1-(4-methylsulfanylphenyl)-2-thiophen-2-ylethanamine
CID 79218005
2-(3-bromo-4-fluorophenyl)-1-(4-methylsulfanylphenyl)ethanamine
CID 115818932
N-benzyl-1-(4-methylsulfanylphenyl)ethane-1,2-diamine
CID 60709682
2-(3-fluoro-4-methoxyphenyl)-1-(4-methylsulfanylphenyl)ethanamine
CID 115829883
1-benzylsulfanyl-4-methylsulfanylbenzene
CID 13058449

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylsulfanylphenyl)-2-phenylethanamine?
The IUPAC name of 1-(4-methylsulfanylphenyl)-2-phenylethanamine (CID 79217379) is 1-(4-methylsulfanylphenyl)-2-phenylethanamine.
What is the SMILES notation for 1-(4-methylsulfanylphenyl)-2-phenylethanamine?
The canonical SMILES for 1-(4-methylsulfanylphenyl)-2-phenylethanamine is CSc1ccc(C(N)Cc2ccccc2)cc1.
What is the InChIKey of 1-(4-methylsulfanylphenyl)-2-phenylethanamine?
The InChIKey is DAWPPKMXFLIUAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NS/c1-17-14-9-7-13(8-10-14)15(16)11-12-5-3-2-4-6-12/h2-10,15H,11,16H2,1H3.
What are the key properties of 1-(4-methylsulfanylphenyl)-2-phenylethanamine?
1-(4-methylsulfanylphenyl)-2-phenylethanamine has a molecular weight of 243.38 g/mol, XLogP of 3.65, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylsulfanylphenyl)-2-phenylethanamine is sourced from PubChem (CID 79217379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).