N-[[6-(2-methylsulfanylphenoxy)-3-pyridinyl]methyl]ethanamine

C15H18N2OS — CID 55244250

IUPACN-[[6-(2-methylsulfanylphenoxy)-3-pyridinyl]methyl]ethanamine
SMILESCCNCc1ccc(Oc2ccccc2SC)nc1
InChIInChI=1S/C15H18N2OS/c1-3-16-10-12-8-9-15(17-11-12)18-13-6-4-5-7-14(13)19-2/h4-9,11,16H,3,10H2,1-2H3
InChIKeyQHAOHMVEHFZMKU-UHFFFAOYSA-N
MW274.39 g/mol
LogP3.71
Rot. Bonds6

About N-[[6-(2-methylsulfanylphenoxy)-3-pyridinyl]methyl]ethanamine

N-[[6-(2-methylsulfanylphenoxy)-3-pyridinyl]methyl]ethanamine (PubChem CID 55244250) has the molecular formula C15H18N2OS and a molecular weight of 274.39 g/mol. Its IUPAC name is N-[[6-(2-methylsulfanylphenoxy)-3-pyridinyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[6-(2-methylsulfanylphenoxy)-3-pyridinyl]methyl]ethanamine
PubChem CID55244250
Molecular FormulaC15H18N2OS
Molecular Weight274.39 g/mol
Exact Mass274.11
IUPAC NameN-[[6-(2-methylsulfanylphenoxy)-3-pyridinyl]methyl]ethanamine
SMILESCCNCc1ccc(Oc2ccccc2SC)nc1
InChIInChI=1S/C15H18N2OS/c1-3-16-10-12-8-9-15(17-11-12)18-13-6-4-5-7-14(13)19-2/h4-9,11,16H,3,10H2,1-2H3
InChIKeyQHAOHMVEHFZMKU-UHFFFAOYSA-N
XLogP3.71
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.39
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[6-(2-methylsulfanylphenoxy)-2-pyridinyl]methyl]ethanamine
CID 63647535
N-[[6-(2,5-dichlorophenoxy)-3-pyridinyl]methyl]ethanamine
CID 62296038
N-[[5-methyl-6-(2-methylsulfanylphenoxy)-3-pyridinyl]methyl]propan-1-amine
CID 80637131
N-[[6-(3,5-dimethoxyphenoxy)-3-pyridinyl]methyl]ethanamine
CID 62297385
N-[[6-(4-bromophenoxy)-3-pyridinyl]methyl]ethanamine
CID 62297130
N-[[6-(3-ethylphenoxy)-3-pyridinyl]methyl]ethanamine
CID 62296868
N-[[6-(2-ethylphenoxy)-3-pyridinyl]methyl]propan-2-amine
CID 62321526
[2-[[5-(methylaminomethyl)-2-pyridinyl]oxy]phenyl]methanol
CID 80633758
N-[(6-pentan-2-yloxy-3-pyridinyl)methyl]ethanamine
CID 102985726
N-[[6-(3-chloro-2-fluorophenoxy)-3-pyridinyl]methyl]-2-methylpropan-1-amine
CID 116689574
N-[[6-(4-chloro-3-fluorophenoxy)-3-pyridinyl]methyl]ethanamine
CID 82716590
N-[[6-(2,4-difluorophenoxy)-3-pyridinyl]methyl]propan-1-amine
CID 62297251

Frequently Asked Questions

What is the IUPAC name of N-[[6-(2-methylsulfanylphenoxy)-3-pyridinyl]methyl]ethanamine?
The IUPAC name of N-[[6-(2-methylsulfanylphenoxy)-3-pyridinyl]methyl]ethanamine (CID 55244250) is N-[[6-(2-methylsulfanylphenoxy)-3-pyridinyl]methyl]ethanamine.
What is the SMILES notation for N-[[6-(2-methylsulfanylphenoxy)-3-pyridinyl]methyl]ethanamine?
The canonical SMILES for N-[[6-(2-methylsulfanylphenoxy)-3-pyridinyl]methyl]ethanamine is CCNCc1ccc(Oc2ccccc2SC)nc1.
What is the InChIKey of N-[[6-(2-methylsulfanylphenoxy)-3-pyridinyl]methyl]ethanamine?
The InChIKey is QHAOHMVEHFZMKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2OS/c1-3-16-10-12-8-9-15(17-11-12)18-13-6-4-5-7-14(13)19-2/h4-9,11,16H,3,10H2,1-2H3.
What are the key properties of N-[[6-(2-methylsulfanylphenoxy)-3-pyridinyl]methyl]ethanamine?
N-[[6-(2-methylsulfanylphenoxy)-3-pyridinyl]methyl]ethanamine has a molecular weight of 274.39 g/mol, XLogP of 3.71, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(2-methylsulfanylphenoxy)-3-pyridinyl]methyl]ethanamine is sourced from PubChem (CID 55244250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).