[6-methyl-4-(4-methylsulfanylphenoxy)-3-pyridinyl]methanamine

C14H16N2OS — CID 81250178

IUPAC[6-methyl-4-(4-methylsulfanylphenoxy)-3-pyridinyl]methanamine
SMILESCSc1ccc(Oc2cc(C)ncc2CN)cc1
InChIInChI=1S/C14H16N2OS/c1-10-7-14(11(8-15)9-16-10)17-12-3-5-13(18-2)6-4-12/h3-7,9H,8,15H2,1-2H3
InChIKeyMVZRNVGDRAHZOF-UHFFFAOYSA-N
MW260.36 g/mol
LogP3.36
Rot. Bonds4

About [6-methyl-4-(4-methylsulfanylphenoxy)-3-pyridinyl]methanamine

[6-methyl-4-(4-methylsulfanylphenoxy)-3-pyridinyl]methanamine (PubChem CID 81250178) has the molecular formula C14H16N2OS and a molecular weight of 260.36 g/mol. Its IUPAC name is [6-methyl-4-(4-methylsulfanylphenoxy)-3-pyridinyl]methanamine.

Molecular Properties

Compound Name[6-methyl-4-(4-methylsulfanylphenoxy)-3-pyridinyl]methanamine
PubChem CID81250178
Molecular FormulaC14H16N2OS
Molecular Weight260.36 g/mol
Exact Mass260.10
IUPAC Name[6-methyl-4-(4-methylsulfanylphenoxy)-3-pyridinyl]methanamine
SMILESCSc1ccc(Oc2cc(C)ncc2CN)cc1
InChIInChI=1S/C14H16N2OS/c1-10-7-14(11(8-15)9-16-10)17-12-3-5-13(18-2)6-4-12/h3-7,9H,8,15H2,1-2H3
InChIKeyMVZRNVGDRAHZOF-UHFFFAOYSA-N
XLogP3.36
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.36
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [6-methyl-4-(4-methylsulfanylphenoxy)-3-pyridinyl]methanamine 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 [6-methyl-4-(4-methylsulfanylphenoxy)-3-pyridinyl]methanamine?
The IUPAC name of [6-methyl-4-(4-methylsulfanylphenoxy)-3-pyridinyl]methanamine (CID 81250178) is [6-methyl-4-(4-methylsulfanylphenoxy)-3-pyridinyl]methanamine.
What is the SMILES notation for [6-methyl-4-(4-methylsulfanylphenoxy)-3-pyridinyl]methanamine?
The canonical SMILES for [6-methyl-4-(4-methylsulfanylphenoxy)-3-pyridinyl]methanamine is CSc1ccc(Oc2cc(C)ncc2CN)cc1.
What is the InChIKey of [6-methyl-4-(4-methylsulfanylphenoxy)-3-pyridinyl]methanamine?
The InChIKey is MVZRNVGDRAHZOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2OS/c1-10-7-14(11(8-15)9-16-10)17-12-3-5-13(18-2)6-4-12/h3-7,9H,8,15H2,1-2H3.
What are the key properties of [6-methyl-4-(4-methylsulfanylphenoxy)-3-pyridinyl]methanamine?
[6-methyl-4-(4-methylsulfanylphenoxy)-3-pyridinyl]methanamine has a molecular weight of 260.36 g/mol, XLogP of 3.36, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-methyl-4-(4-methylsulfanylphenoxy)-3-pyridinyl]methanamine is sourced from PubChem (CID 81250178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).