2-methyl-4-[(2-methylphenyl)methylsulfanyl]aniline

C15H17NS — CID 62771925

IUPAC2-methyl-4-[(2-methylphenyl)methylsulfanyl]aniline
SMILESCc1cc(SCc2ccccc2C)ccc1N
InChIInChI=1S/C15H17NS/c1-11-5-3-4-6-13(11)10-17-14-7-8-15(16)12(2)9-14/h3-9H,10,16H2,1-2H3
InChIKeyUGLCZTIWVFHNQO-UHFFFAOYSA-N
MW243.38 g/mol
LogP4.18
Rot. Bonds3

About 2-methyl-4-[(2-methylphenyl)methylsulfanyl]aniline

2-methyl-4-[(2-methylphenyl)methylsulfanyl]aniline (PubChem CID 62771925) has the molecular formula C15H17NS and a molecular weight of 243.38 g/mol. Its IUPAC name is 2-methyl-4-[(2-methylphenyl)methylsulfanyl]aniline.

Molecular Properties

Compound Name2-methyl-4-[(2-methylphenyl)methylsulfanyl]aniline
PubChem CID62771925
Molecular FormulaC15H17NS
Molecular Weight243.38 g/mol
Exact Mass243.11
IUPAC Name2-methyl-4-[(2-methylphenyl)methylsulfanyl]aniline
SMILESCc1cc(SCc2ccccc2C)ccc1N
InChIInChI=1S/C15H17NS/c1-11-5-3-4-6-13(11)10-17-14-7-8-15(16)12(2)9-14/h3-9H,10,16H2,1-2H3
InChIKeyUGLCZTIWVFHNQO-UHFFFAOYSA-N
XLogP4.18
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.38
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[(2-methylphenyl)methylsulfanyl]aniline?
The IUPAC name of 2-methyl-4-[(2-methylphenyl)methylsulfanyl]aniline (CID 62771925) is 2-methyl-4-[(2-methylphenyl)methylsulfanyl]aniline.
What is the SMILES notation for 2-methyl-4-[(2-methylphenyl)methylsulfanyl]aniline?
The canonical SMILES for 2-methyl-4-[(2-methylphenyl)methylsulfanyl]aniline is Cc1cc(SCc2ccccc2C)ccc1N.
What is the InChIKey of 2-methyl-4-[(2-methylphenyl)methylsulfanyl]aniline?
The InChIKey is UGLCZTIWVFHNQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NS/c1-11-5-3-4-6-13(11)10-17-14-7-8-15(16)12(2)9-14/h3-9H,10,16H2,1-2H3.
What are the key properties of 2-methyl-4-[(2-methylphenyl)methylsulfanyl]aniline?
2-methyl-4-[(2-methylphenyl)methylsulfanyl]aniline has a molecular weight of 243.38 g/mol, XLogP of 4.18, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[(2-methylphenyl)methylsulfanyl]aniline is sourced from PubChem (CID 62771925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).