[2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-6-methylsulfanylphenyl]methanamine

C16H20N2OS — CID 103174316

IUPAC[2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-6-methylsulfanylphenyl]methanamine
SMILESCCc1nc(C)ccc1Oc1cccc(SC)c1CN
InChIInChI=1S/C16H20N2OS/c1-4-13-15(9-8-11(2)18-13)19-14-6-5-7-16(20-3)12(14)10-17/h5-9H,4,10,17H2,1-3H3
InChIKeyVDXFGIFFBJCDEP-UHFFFAOYSA-N
MW288.42 g/mol
LogP3.93
Rot. Bonds5

About [2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-6-methylsulfanylphenyl]methanamine

[2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-6-methylsulfanylphenyl]methanamine (PubChem CID 103174316) has the molecular formula C16H20N2OS and a molecular weight of 288.42 g/mol. Its IUPAC name is [2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-6-methylsulfanylphenyl]methanamine.

Molecular Properties

Compound Name[2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-6-methylsulfanylphenyl]methanamine
PubChem CID103174316
Molecular FormulaC16H20N2OS
Molecular Weight288.42 g/mol
Exact Mass288.13
IUPAC Name[2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-6-methylsulfanylphenyl]methanamine
SMILESCCc1nc(C)ccc1Oc1cccc(SC)c1CN
InChIInChI=1S/C16H20N2OS/c1-4-13-15(9-8-11(2)18-13)19-14-6-5-7-16(20-3)12(14)10-17/h5-9H,4,10,17H2,1-3H3
InChIKeyVDXFGIFFBJCDEP-UHFFFAOYSA-N
XLogP3.93
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.42
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[3-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-2-pyridinyl]methanamine
CID 103174319
3-[2-(chloromethyl)-3-fluorophenoxy]-2-ethyl-6-methylpyridine
CID 114065574
[2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-5-methylphenyl]methanamine
CID 107926557
(1S)-1-[2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-6-methoxyphenyl]ethanol
CID 103175163
[2-methylsulfanyl-6-[(1-methyl-1,2,4-triazol-3-yl)oxy]phenyl]methanamine
CID 106596395
3-[(6-chloro-2-pyridinyl)oxy]-2-ethyl-6-methylpyridine
CID 103174660
[2-(3-fluorophenoxy)-6-methylsulfanylphenyl]methanamine
CID 113385374
(1R)-1-[2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-5-fluoro-4-methylphenyl]ethanamine
CID 103174927
[6-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-2-methyl-3-pyridinyl]methanamine
CID 103175479
[2-(3-bromophenoxy)-6-methylsulfanylphenyl]methanamine
CID 113385388
(1S)-1-[4-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-3-fluorophenyl]ethanamine
CID 103174897
1-[6-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-2-pyridinyl]-N-methylmethanamine
CID 103175444

Frequently Asked Questions

What is the IUPAC name of [2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-6-methylsulfanylphenyl]methanamine?
The IUPAC name of [2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-6-methylsulfanylphenyl]methanamine (CID 103174316) is [2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-6-methylsulfanylphenyl]methanamine.
What is the SMILES notation for [2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-6-methylsulfanylphenyl]methanamine?
The canonical SMILES for [2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-6-methylsulfanylphenyl]methanamine is CCc1nc(C)ccc1Oc1cccc(SC)c1CN.
What is the InChIKey of [2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-6-methylsulfanylphenyl]methanamine?
The InChIKey is VDXFGIFFBJCDEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2OS/c1-4-13-15(9-8-11(2)18-13)19-14-6-5-7-16(20-3)12(14)10-17/h5-9H,4,10,17H2,1-3H3.
What are the key properties of [2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-6-methylsulfanylphenyl]methanamine?
[2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-6-methylsulfanylphenyl]methanamine has a molecular weight of 288.42 g/mol, XLogP of 3.93, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-6-methylsulfanylphenyl]methanamine is sourced from PubChem (CID 103174316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).