N-(2-methylsulfanyl-1-phenylethyl)aniline

C15H17NS — CID 12936071

IUPACN-(2-methylsulfanyl-1-phenylethyl)aniline
SMILESCSCC(Nc1ccccc1)c1ccccc1
InChIInChI=1S/C15H17NS/c1-17-12-15(13-8-4-2-5-9-13)16-14-10-6-3-7-11-14/h2-11,15-16H,12H2,1H3
InChIKeyASNJIVNOBPINAW-UHFFFAOYSA-N
MW243.38 g/mol
LogP4.20
Rot. Bonds5

About N-(2-methylsulfanyl-1-phenylethyl)aniline

N-(2-methylsulfanyl-1-phenylethyl)aniline (PubChem CID 12936071) has the molecular formula C15H17NS and a molecular weight of 243.38 g/mol. Its IUPAC name is N-(2-methylsulfanyl-1-phenylethyl)aniline.

Molecular Properties

Compound NameN-(2-methylsulfanyl-1-phenylethyl)aniline
PubChem CID12936071
Molecular FormulaC15H17NS
Molecular Weight243.38 g/mol
Exact Mass243.11
IUPAC NameN-(2-methylsulfanyl-1-phenylethyl)aniline
SMILESCSCC(Nc1ccccc1)c1ccccc1
InChIInChI=1S/C15H17NS/c1-17-12-15(13-8-4-2-5-9-13)16-14-10-6-3-7-11-14/h2-11,15-16H,12H2,1H3
InChIKeyASNJIVNOBPINAW-UHFFFAOYSA-N
XLogP4.20
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.38
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2-methylsulfanyl-1-phenylethyl)aniline?
The IUPAC name of N-(2-methylsulfanyl-1-phenylethyl)aniline (CID 12936071) is N-(2-methylsulfanyl-1-phenylethyl)aniline.
What is the SMILES notation for N-(2-methylsulfanyl-1-phenylethyl)aniline?
The canonical SMILES for N-(2-methylsulfanyl-1-phenylethyl)aniline is CSCC(Nc1ccccc1)c1ccccc1.
What is the InChIKey of N-(2-methylsulfanyl-1-phenylethyl)aniline?
The InChIKey is ASNJIVNOBPINAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NS/c1-17-12-15(13-8-4-2-5-9-13)16-14-10-6-3-7-11-14/h2-11,15-16H,12H2,1H3.
What are the key properties of N-(2-methylsulfanyl-1-phenylethyl)aniline?
N-(2-methylsulfanyl-1-phenylethyl)aniline has a molecular weight of 243.38 g/mol, XLogP of 4.20, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylsulfanyl-1-phenylethyl)aniline is sourced from PubChem (CID 12936071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).