2-methyl-N-[[6-(2-methylsulfanylphenoxy)-2-pyridinyl]methyl]propan-2-amine

C17H22N2OS — CID 63647366

IUPAC2-methyl-N-[[6-(2-methylsulfanylphenoxy)-2-pyridinyl]methyl]propan-2-amine
SMILESCSc1ccccc1Oc1cccc(CNC(C)(C)C)n1
InChIInChI=1S/C17H22N2OS/c1-17(2,3)18-12-13-8-7-11-16(19-13)20-14-9-5-6-10-15(14)21-4/h5-11,18H,12H2,1-4H3
InChIKeyCWJBRQHNIGAZHJ-UHFFFAOYSA-N
MW302.44 g/mol
LogP4.48
Rot. Bonds5

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

2-methyl-N-[[6-(2-methylsulfanylphenoxy)-2-pyridinyl]methyl]propan-2-amine (PubChem CID 63647366) has the molecular formula C17H22N2OS and a molecular weight of 302.44 g/mol. Its IUPAC name is 2-methyl-N-[[6-(2-methylsulfanylphenoxy)-2-pyridinyl]methyl]propan-2-amine.

Molecular Properties

Compound Name2-methyl-N-[[6-(2-methylsulfanylphenoxy)-2-pyridinyl]methyl]propan-2-amine
PubChem CID63647366
Molecular FormulaC17H22N2OS
Molecular Weight302.44 g/mol
Exact Mass302.15
IUPAC Name2-methyl-N-[[6-(2-methylsulfanylphenoxy)-2-pyridinyl]methyl]propan-2-amine
SMILESCSc1ccccc1Oc1cccc(CNC(C)(C)C)n1
InChIInChI=1S/C17H22N2OS/c1-17(2,3)18-12-13-8-7-11-16(19-13)20-14-9-5-6-10-15(14)21-4/h5-11,18H,12H2,1-4H3
InChIKeyCWJBRQHNIGAZHJ-UHFFFAOYSA-N
XLogP4.48
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.44
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[6-(2-methylsulfanylphenoxy)-2-pyridinyl]methyl]ethanamine
CID 63647535
2-methyl-N-[[6-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]methyl]propan-2-amine
CID 62291642
6-(2-methylsulfanylphenoxy)-N-propylpyridin-2-amine
CID 80880347
N-[[6-(4-bromo-2-methylphenoxy)-2-pyridinyl]methyl]-2-methylpropan-2-amine
CID 63217068
2-methyl-N-[(6-propoxy-2-pyridinyl)methyl]propan-2-amine
CID 62292233
2-methyl-N-[[6-(2,2,2-trifluoroethoxy)-2-pyridinyl]methyl]propan-2-amine
CID 62291181
N-[[6-(2-fluorophenoxy)pyrazin-2-yl]methyl]-2-methylpropan-2-amine
CID 66451987
N-[[6-(3-chlorophenoxy)-2-pyridinyl]methyl]-2-methylpropan-2-amine
CID 62322346
N-[[6-(3-ethylphenoxy)-2-pyridinyl]methyl]-2-methylpropan-2-amine
CID 62298097
N-[(6-cyclopentyloxy-2-pyridinyl)methyl]-2-methylpropan-2-amine
CID 62289891
2-methyl-N-[[6-(2-methylsulfanylphenoxy)pyrazin-2-yl]methyl]propan-1-amine
CID 66465227
6-(2-methylsulfanylphenoxy)pyrimidin-4-amine
CID 80880691

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[6-(2-methylsulfanylphenoxy)-2-pyridinyl]methyl]propan-2-amine?
The IUPAC name of 2-methyl-N-[[6-(2-methylsulfanylphenoxy)-2-pyridinyl]methyl]propan-2-amine (CID 63647366) is 2-methyl-N-[[6-(2-methylsulfanylphenoxy)-2-pyridinyl]methyl]propan-2-amine.
What is the SMILES notation for 2-methyl-N-[[6-(2-methylsulfanylphenoxy)-2-pyridinyl]methyl]propan-2-amine?
The canonical SMILES for 2-methyl-N-[[6-(2-methylsulfanylphenoxy)-2-pyridinyl]methyl]propan-2-amine is CSc1ccccc1Oc1cccc(CNC(C)(C)C)n1.
What is the InChIKey of 2-methyl-N-[[6-(2-methylsulfanylphenoxy)-2-pyridinyl]methyl]propan-2-amine?
The InChIKey is CWJBRQHNIGAZHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2OS/c1-17(2,3)18-12-13-8-7-11-16(19-13)20-14-9-5-6-10-15(14)21-4/h5-11,18H,12H2,1-4H3.
What are the key properties of 2-methyl-N-[[6-(2-methylsulfanylphenoxy)-2-pyridinyl]methyl]propan-2-amine?
2-methyl-N-[[6-(2-methylsulfanylphenoxy)-2-pyridinyl]methyl]propan-2-amine has a molecular weight of 302.44 g/mol, XLogP of 4.48, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[6-(2-methylsulfanylphenoxy)-2-pyridinyl]methyl]propan-2-amine is sourced from PubChem (CID 63647366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).