4-[(4-methoxy-6-methyl-2-pyridinyl)methylsulfanyl]-2-methylaniline

C15H18N2OS — CID 82892721

IUPAC4-[(4-methoxy-6-methyl-2-pyridinyl)methylsulfanyl]-2-methylaniline
SMILESCOc1cc(C)nc(CSc2ccc(N)c(C)c2)c1
InChIInChI=1S/C15H18N2OS/c1-10-6-14(4-5-15(10)16)19-9-12-8-13(18-3)7-11(2)17-12/h4-8H,9,16H2,1-3H3
InChIKeyOSAREJYHZIWIFY-UHFFFAOYSA-N
MW274.39 g/mol
LogP3.58
Rot. Bonds4

About 4-[(4-methoxy-6-methyl-2-pyridinyl)methylsulfanyl]-2-methylaniline

4-[(4-methoxy-6-methyl-2-pyridinyl)methylsulfanyl]-2-methylaniline (PubChem CID 82892721) has the molecular formula C15H18N2OS and a molecular weight of 274.39 g/mol. Its IUPAC name is 4-[(4-methoxy-6-methyl-2-pyridinyl)methylsulfanyl]-2-methylaniline.

Molecular Properties

Compound Name4-[(4-methoxy-6-methyl-2-pyridinyl)methylsulfanyl]-2-methylaniline
PubChem CID82892721
Molecular FormulaC15H18N2OS
Molecular Weight274.39 g/mol
Exact Mass274.11
IUPAC Name4-[(4-methoxy-6-methyl-2-pyridinyl)methylsulfanyl]-2-methylaniline
SMILESCOc1cc(C)nc(CSc2ccc(N)c(C)c2)c1
InChIInChI=1S/C15H18N2OS/c1-10-6-14(4-5-15(10)16)19-9-12-8-13(18-3)7-11(2)17-12/h4-8H,9,16H2,1-3H3
InChIKeyOSAREJYHZIWIFY-UHFFFAOYSA-N
XLogP3.58
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.39
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-[(4-methoxy-6-methyl-2-pyridinyl)methylsulfanyl]-2-methylaniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[(4-methoxy-6-methyl-2-pyridinyl)methylsulfanyl]-2-methylaniline?
The IUPAC name of 4-[(4-methoxy-6-methyl-2-pyridinyl)methylsulfanyl]-2-methylaniline (CID 82892721) is 4-[(4-methoxy-6-methyl-2-pyridinyl)methylsulfanyl]-2-methylaniline.
What is the SMILES notation for 4-[(4-methoxy-6-methyl-2-pyridinyl)methylsulfanyl]-2-methylaniline?
The canonical SMILES for 4-[(4-methoxy-6-methyl-2-pyridinyl)methylsulfanyl]-2-methylaniline is COc1cc(C)nc(CSc2ccc(N)c(C)c2)c1.
What is the InChIKey of 4-[(4-methoxy-6-methyl-2-pyridinyl)methylsulfanyl]-2-methylaniline?
The InChIKey is OSAREJYHZIWIFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2OS/c1-10-6-14(4-5-15(10)16)19-9-12-8-13(18-3)7-11(2)17-12/h4-8H,9,16H2,1-3H3.
What are the key properties of 4-[(4-methoxy-6-methyl-2-pyridinyl)methylsulfanyl]-2-methylaniline?
4-[(4-methoxy-6-methyl-2-pyridinyl)methylsulfanyl]-2-methylaniline has a molecular weight of 274.39 g/mol, XLogP of 3.58, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-methoxy-6-methyl-2-pyridinyl)methylsulfanyl]-2-methylaniline is sourced from PubChem (CID 82892721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).