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

C15H18N2OS — CID 63647535

IUPACN-[[6-(2-methylsulfanylphenoxy)-2-pyridinyl]methyl]ethanamine
SMILESCCNCc1cccc(Oc2ccccc2SC)n1
InChIInChI=1S/C15H18N2OS/c1-3-16-11-12-7-6-10-15(17-12)18-13-8-4-5-9-14(13)19-2/h4-10,16H,3,11H2,1-2H3
InChIKeyMRSSTBJTTVCNHV-UHFFFAOYSA-N
MW274.39 g/mol
LogP3.71
Rot. Bonds6

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

N-[[6-(2-methylsulfanylphenoxy)-2-pyridinyl]methyl]ethanamine (PubChem CID 63647535) has the molecular formula C15H18N2OS and a molecular weight of 274.39 g/mol. Its IUPAC name is N-[[6-(2-methylsulfanylphenoxy)-2-pyridinyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[6-(2-methylsulfanylphenoxy)-2-pyridinyl]methyl]ethanamine
PubChem CID63647535
Molecular FormulaC15H18N2OS
Molecular Weight274.39 g/mol
Exact Mass274.11
IUPAC NameN-[[6-(2-methylsulfanylphenoxy)-2-pyridinyl]methyl]ethanamine
SMILESCCNCc1cccc(Oc2ccccc2SC)n1
InChIInChI=1S/C15H18N2OS/c1-3-16-11-12-7-6-10-15(17-12)18-13-8-4-5-9-14(13)19-2/h4-10,16H,3,11H2,1-2H3
InChIKeyMRSSTBJTTVCNHV-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

2-methyl-N-[[6-(2-methylsulfanylphenoxy)-2-pyridinyl]methyl]propan-2-amine
CID 63647366
N-[[6-(2-chlorophenoxy)-2-pyridinyl]methyl]ethanamine
CID 62295900
N-[[6-(2-prop-1-enylphenoxy)-2-pyridinyl]methyl]ethanamine
CID 76938437
N-[[6-(2-methylsulfanylphenoxy)-3-pyridinyl]methyl]ethanamine
CID 55244250
6-(2-methylsulfanylphenoxy)-N-propylpyridin-2-amine
CID 80880347
2-methyl-N-[[6-(2-methylsulfanylphenoxy)pyrazin-2-yl]methyl]propan-1-amine
CID 66465227
N-[[6-(ethylaminomethyl)-2-pyridinyl]methyl]ethanamine
CID 11566567
N-[[6-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]methyl]ethanamine
CID 62290561
N-[[6-(3-chlorophenoxy)-2-pyridinyl]methyl]ethanamine
CID 62323929
N-[[6-(3-chloro-4-fluorophenoxy)-2-pyridinyl]methyl]ethanamine
CID 55257457
N-[[6-(2,3-difluorophenoxy)pyrazin-2-yl]methyl]ethanamine
CID 66466578
N-[[6-(3,3-dimethylbutoxy)-2-pyridinyl]methyl]ethanamine
CID 66226819

Frequently Asked Questions

What is the IUPAC name of N-[[6-(2-methylsulfanylphenoxy)-2-pyridinyl]methyl]ethanamine?
The IUPAC name of N-[[6-(2-methylsulfanylphenoxy)-2-pyridinyl]methyl]ethanamine (CID 63647535) is N-[[6-(2-methylsulfanylphenoxy)-2-pyridinyl]methyl]ethanamine.
What is the SMILES notation for N-[[6-(2-methylsulfanylphenoxy)-2-pyridinyl]methyl]ethanamine?
The canonical SMILES for N-[[6-(2-methylsulfanylphenoxy)-2-pyridinyl]methyl]ethanamine is CCNCc1cccc(Oc2ccccc2SC)n1.
What is the InChIKey of N-[[6-(2-methylsulfanylphenoxy)-2-pyridinyl]methyl]ethanamine?
The InChIKey is MRSSTBJTTVCNHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2OS/c1-3-16-11-12-7-6-10-15(17-12)18-13-8-4-5-9-14(13)19-2/h4-10,16H,3,11H2,1-2H3.
What are the key properties of N-[[6-(2-methylsulfanylphenoxy)-2-pyridinyl]methyl]ethanamine?
N-[[6-(2-methylsulfanylphenoxy)-2-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)-2-pyridinyl]methyl]ethanamine is sourced from PubChem (CID 63647535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).