6-[(2-methoxyphenyl)sulfanylmethyl]-N-propylpyridin-2-amine

C16H20N2OS — CID 79238892

IUPAC6-[(2-methoxyphenyl)sulfanylmethyl]-N-propylpyridin-2-amine
SMILESCCCNc1cccc(CSc2ccccc2OC)n1
InChIInChI=1S/C16H20N2OS/c1-3-11-17-16-10-6-7-13(18-16)12-20-15-9-5-4-8-14(15)19-2/h4-10H,3,11-12H2,1-2H3,(H,17,18)
InChIKeyKFOJMFYXMPMMIB-UHFFFAOYSA-N
MW288.42 g/mol
LogP4.20
Rot. Bonds7

About 6-[(2-methoxyphenyl)sulfanylmethyl]-N-propylpyridin-2-amine

6-[(2-methoxyphenyl)sulfanylmethyl]-N-propylpyridin-2-amine (PubChem CID 79238892) has the molecular formula C16H20N2OS and a molecular weight of 288.42 g/mol. Its IUPAC name is 6-[(2-methoxyphenyl)sulfanylmethyl]-N-propylpyridin-2-amine.

Molecular Properties

Compound Name6-[(2-methoxyphenyl)sulfanylmethyl]-N-propylpyridin-2-amine
PubChem CID79238892
Molecular FormulaC16H20N2OS
Molecular Weight288.42 g/mol
Exact Mass288.13
IUPAC Name6-[(2-methoxyphenyl)sulfanylmethyl]-N-propylpyridin-2-amine
SMILESCCCNc1cccc(CSc2ccccc2OC)n1
InChIInChI=1S/C16H20N2OS/c1-3-11-17-16-10-6-7-13(18-16)12-20-15-9-5-4-8-14(15)19-2/h4-10H,3,11-12H2,1-2H3,(H,17,18)
InChIKeyKFOJMFYXMPMMIB-UHFFFAOYSA-N
XLogP4.20
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.42
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-[(4-methoxyphenyl)sulfanylmethyl]-N-propylpyridin-2-amine
CID 79239390
6-[(4-propan-2-ylphenyl)sulfanylmethyl]-N-propylpyridin-2-amine
CID 79233414
3-[[6-(propylamino)-2-pyridinyl]methylsulfanyl]propane-1,2-diol
CID 79671978
4-[(2-methoxyphenyl)sulfanylmethyl]-N-propylthiadiazol-5-amine
CID 62188803
6-(2-methylsulfanylphenoxy)-N-propylpyridin-2-amine
CID 80880347
6-[(1-methyltetrazol-5-yl)sulfanylmethyl]-N-propylpyridin-2-amine
CID 79239053
N-ethyl-6-(2-methoxyphenyl)sulfanylpyridin-2-amine
CID 80885405
6-[(2,5-dimethylphenyl)sulfanylmethyl]-N-ethylpyridin-2-amine
CID 79239392
6-(1-methoxypropan-2-yloxymethyl)-N-propylpyridin-2-amine
CID 79239046
6-[2-(2-methoxyethoxy)ethoxymethyl]-N-propylpyridin-2-amine
CID 104565921
6-[[methyl(1-methylsulfanylbutan-2-yl)amino]methyl]-N-propylpyridin-2-amine
CID 112664312
6-[[methyl(pentan-3-yl)amino]methyl]-N-propylpyridin-2-amine
CID 79243531

Frequently Asked Questions

What is the IUPAC name of 6-[(2-methoxyphenyl)sulfanylmethyl]-N-propylpyridin-2-amine?
The IUPAC name of 6-[(2-methoxyphenyl)sulfanylmethyl]-N-propylpyridin-2-amine (CID 79238892) is 6-[(2-methoxyphenyl)sulfanylmethyl]-N-propylpyridin-2-amine.
What is the SMILES notation for 6-[(2-methoxyphenyl)sulfanylmethyl]-N-propylpyridin-2-amine?
The canonical SMILES for 6-[(2-methoxyphenyl)sulfanylmethyl]-N-propylpyridin-2-amine is CCCNc1cccc(CSc2ccccc2OC)n1.
What is the InChIKey of 6-[(2-methoxyphenyl)sulfanylmethyl]-N-propylpyridin-2-amine?
The InChIKey is KFOJMFYXMPMMIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2OS/c1-3-11-17-16-10-6-7-13(18-16)12-20-15-9-5-4-8-14(15)19-2/h4-10H,3,11-12H2,1-2H3,(H,17,18).
What are the key properties of 6-[(2-methoxyphenyl)sulfanylmethyl]-N-propylpyridin-2-amine?
6-[(2-methoxyphenyl)sulfanylmethyl]-N-propylpyridin-2-amine has a molecular weight of 288.42 g/mol, XLogP of 4.20, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-methoxyphenyl)sulfanylmethyl]-N-propylpyridin-2-amine is sourced from PubChem (CID 79238892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).