2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-1-(4-methoxyphenyl)-N-methylethanamine

C17H22N2OS — CID 102926592

IUPAC2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-1-(4-methoxyphenyl)-N-methylethanamine
SMILESCNC(CSc1cc(C)cc(C)n1)c1ccc(OC)cc1
InChIInChI=1S/C17H22N2OS/c1-12-9-13(2)19-17(10-12)21-11-16(18-3)14-5-7-15(20-4)8-6-14/h5-10,16,18H,11H2,1-4H3
InChIKeyYUURZDGGWRXRAO-UHFFFAOYSA-N
MW302.44 g/mol
LogP3.76
Rot. Bonds6

About 2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-1-(4-methoxyphenyl)-N-methylethanamine

2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-1-(4-methoxyphenyl)-N-methylethanamine (PubChem CID 102926592) has the molecular formula C17H22N2OS and a molecular weight of 302.44 g/mol. Its IUPAC name is 2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-1-(4-methoxyphenyl)-N-methylethanamine.

Molecular Properties

Compound Name2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-1-(4-methoxyphenyl)-N-methylethanamine
PubChem CID102926592
Molecular FormulaC17H22N2OS
Molecular Weight302.44 g/mol
Exact Mass302.15
IUPAC Name2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-1-(4-methoxyphenyl)-N-methylethanamine
SMILESCNC(CSc1cc(C)cc(C)n1)c1ccc(OC)cc1
InChIInChI=1S/C17H22N2OS/c1-12-9-13(2)19-17(10-12)21-11-16(18-3)14-5-7-15(20-4)8-6-14/h5-10,16,18H,11H2,1-4H3
InChIKeyYUURZDGGWRXRAO-UHFFFAOYSA-N
XLogP3.76
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.44
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-N-methyl-1-(4-methylphenyl)ethanamine
CID 102926336
1-(2,4-dimethylphenyl)-2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-N-methylethanamine
CID 102926366
1-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-N-methylpropan-2-amine
CID 102926365
2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-2-(4-methoxyphenyl)ethanamine
CID 102924691
1-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-N,3-dimethylbutan-2-amine
CID 102926419
2-(2-chlorophenyl)sulfanyl-1-(4-methoxyphenyl)-N-methylethanamine
CID 64620494
2-chloro-1-(4-methoxyphenyl)-N-methylethanamine
CID 116952568
3-[2-(4-methoxyphenyl)-2-(methylamino)ethyl]-2,6-dimethylpyrimidin-4-one
CID 63769874
4-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-N-methylbutan-2-amine
CID 102926370
1-(4-methoxyphenyl)-2-(3-methoxypropylsulfanyl)-N-methylethanamine
CID 64626660
1-(3,5-dimethylphenyl)-2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]ethanamine
CID 102926515
1-(3,5-dimethylphenyl)-1-(4-methoxyphenyl)-N-methylmethanamine
CID 43481665

Frequently Asked Questions

What is the IUPAC name of 2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-1-(4-methoxyphenyl)-N-methylethanamine?
The IUPAC name of 2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-1-(4-methoxyphenyl)-N-methylethanamine (CID 102926592) is 2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-1-(4-methoxyphenyl)-N-methylethanamine.
What is the SMILES notation for 2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-1-(4-methoxyphenyl)-N-methylethanamine?
The canonical SMILES for 2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-1-(4-methoxyphenyl)-N-methylethanamine is CNC(CSc1cc(C)cc(C)n1)c1ccc(OC)cc1.
What is the InChIKey of 2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-1-(4-methoxyphenyl)-N-methylethanamine?
The InChIKey is YUURZDGGWRXRAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2OS/c1-12-9-13(2)19-17(10-12)21-11-16(18-3)14-5-7-15(20-4)8-6-14/h5-10,16,18H,11H2,1-4H3.
What are the key properties of 2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-1-(4-methoxyphenyl)-N-methylethanamine?
2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-1-(4-methoxyphenyl)-N-methylethanamine has a molecular weight of 302.44 g/mol, XLogP of 3.76, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-1-(4-methoxyphenyl)-N-methylethanamine is sourced from PubChem (CID 102926592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).