4-methyl-N-[(4-methylsulfanylphenyl)methyl]aniline

C15H17NS — CID 834582

IUPAC4-methyl-N-[(4-methylsulfanylphenyl)methyl]aniline
SMILESCSc1ccc(CNc2ccc(C)cc2)cc1
InChIInChI=1S/C15H17NS/c1-12-3-7-14(8-4-12)16-11-13-5-9-15(17-2)10-6-13/h3-10,16H,11H2,1-2H3
InChIKeyWTRDKFMBIJAZHH-UHFFFAOYSA-N
MW243.38 g/mol
LogP4.33
Rot. Bonds4

About 4-methyl-N-[(4-methylsulfanylphenyl)methyl]aniline

4-methyl-N-[(4-methylsulfanylphenyl)methyl]aniline (PubChem CID 834582) has the molecular formula C15H17NS and a molecular weight of 243.38 g/mol. Its IUPAC name is 4-methyl-N-[(4-methylsulfanylphenyl)methyl]aniline.

Molecular Properties

Compound Name4-methyl-N-[(4-methylsulfanylphenyl)methyl]aniline
PubChem CID834582
Molecular FormulaC15H17NS
Molecular Weight243.38 g/mol
Exact Mass243.11
IUPAC Name4-methyl-N-[(4-methylsulfanylphenyl)methyl]aniline
SMILESCSc1ccc(CNc2ccc(C)cc2)cc1
InChIInChI=1S/C15H17NS/c1-12-3-7-14(8-4-12)16-11-13-5-9-15(17-2)10-6-13/h3-10,16H,11H2,1-2H3
InChIKeyWTRDKFMBIJAZHH-UHFFFAOYSA-N
XLogP4.33
TPSA12.03 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 ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[(4-methylsulfanylphenyl)methyl]aniline?
The IUPAC name of 4-methyl-N-[(4-methylsulfanylphenyl)methyl]aniline (CID 834582) is 4-methyl-N-[(4-methylsulfanylphenyl)methyl]aniline.
What is the SMILES notation for 4-methyl-N-[(4-methylsulfanylphenyl)methyl]aniline?
The canonical SMILES for 4-methyl-N-[(4-methylsulfanylphenyl)methyl]aniline is CSc1ccc(CNc2ccc(C)cc2)cc1.
What is the InChIKey of 4-methyl-N-[(4-methylsulfanylphenyl)methyl]aniline?
The InChIKey is WTRDKFMBIJAZHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NS/c1-12-3-7-14(8-4-12)16-11-13-5-9-15(17-2)10-6-13/h3-10,16H,11H2,1-2H3.
What are the key properties of 4-methyl-N-[(4-methylsulfanylphenyl)methyl]aniline?
4-methyl-N-[(4-methylsulfanylphenyl)methyl]aniline has a molecular weight of 243.38 g/mol, XLogP of 4.33, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[(4-methylsulfanylphenyl)methyl]aniline is sourced from PubChem (CID 834582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).