[2-methyl-4-(2-methylsulfanylphenoxy)phenyl]methanamine

C15H17NOS — CID 63647338

IUPAC[2-methyl-4-(2-methylsulfanylphenoxy)phenyl]methanamine
SMILESCSc1ccccc1Oc1ccc(CN)c(C)c1
InChIInChI=1S/C15H17NOS/c1-11-9-13(8-7-12(11)10-16)17-14-5-3-4-6-15(14)18-2/h3-9H,10,16H2,1-2H3
InChIKeyMPWJLOXYHQVGLU-UHFFFAOYSA-N
MW259.37 g/mol
LogP3.97
Rot. Bonds4

About [2-methyl-4-(2-methylsulfanylphenoxy)phenyl]methanamine

[2-methyl-4-(2-methylsulfanylphenoxy)phenyl]methanamine (PubChem CID 63647338) has the molecular formula C15H17NOS and a molecular weight of 259.37 g/mol. Its IUPAC name is [2-methyl-4-(2-methylsulfanylphenoxy)phenyl]methanamine.

Molecular Properties

Compound Name[2-methyl-4-(2-methylsulfanylphenoxy)phenyl]methanamine
PubChem CID63647338
Molecular FormulaC15H17NOS
Molecular Weight259.37 g/mol
Exact Mass259.10
IUPAC Name[2-methyl-4-(2-methylsulfanylphenoxy)phenyl]methanamine
SMILESCSc1ccccc1Oc1ccc(CN)c(C)c1
InChIInChI=1S/C15H17NOS/c1-11-9-13(8-7-12(11)10-16)17-14-5-3-4-6-15(14)18-2/h3-9H,10,16H2,1-2H3
InChIKeyMPWJLOXYHQVGLU-UHFFFAOYSA-N
XLogP3.97
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.37
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-4-(2-methylsulfanylphenoxy)benzonitrile
CID 81282036
N'-hydroxy-2-methyl-4-(2-methylsulfanylphenoxy)benzenecarboximidamide
CID 81277531
2-[4-(2-methylsulfanylphenoxy)phenyl]ethanamine
CID 63802833
[4-(2-chloro-5-methylphenoxy)-2-methylphenyl]methanamine
CID 55038503
[4-(2-bromo-4-methoxyphenoxy)-2-methylphenyl]methanamine
CID 104706389
[4-[2-(hydroxymethyl)phenoxy]-2-methylphenyl]methanol
CID 63653809
[4-(4-bromo-2,5-dichlorophenoxy)-2-methylphenyl]methanamine
CID 107655066
4-(2-methylsulfanylphenoxy)-2-(trifluoromethyl)aniline
CID 63648643
[2-chloro-4-(2-fluoro-3-methylphenoxy)phenyl]methanamine
CID 107655131
1-[4-(2-methoxyphenoxy)-2-methylphenyl]propan-2-amine
CID 63803634
[2-(3,4-dimethylphenoxy)-4-methylphenyl]methanamine
CID 62309021
[2-(3-fluorophenoxy)-6-methylsulfanylphenyl]methanamine
CID 113385374

Frequently Asked Questions

What is the IUPAC name of [2-methyl-4-(2-methylsulfanylphenoxy)phenyl]methanamine?
The IUPAC name of [2-methyl-4-(2-methylsulfanylphenoxy)phenyl]methanamine (CID 63647338) is [2-methyl-4-(2-methylsulfanylphenoxy)phenyl]methanamine.
What is the SMILES notation for [2-methyl-4-(2-methylsulfanylphenoxy)phenyl]methanamine?
The canonical SMILES for [2-methyl-4-(2-methylsulfanylphenoxy)phenyl]methanamine is CSc1ccccc1Oc1ccc(CN)c(C)c1.
What is the InChIKey of [2-methyl-4-(2-methylsulfanylphenoxy)phenyl]methanamine?
The InChIKey is MPWJLOXYHQVGLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NOS/c1-11-9-13(8-7-12(11)10-16)17-14-5-3-4-6-15(14)18-2/h3-9H,10,16H2,1-2H3.
What are the key properties of [2-methyl-4-(2-methylsulfanylphenoxy)phenyl]methanamine?
[2-methyl-4-(2-methylsulfanylphenoxy)phenyl]methanamine has a molecular weight of 259.37 g/mol, XLogP of 3.97, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methyl-4-(2-methylsulfanylphenoxy)phenyl]methanamine is sourced from PubChem (CID 63647338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).