2-methyl-N-[[3-(4-methylsulfanylphenoxy)-4-pyridinyl]methyl]propan-2-amine

C17H22N2OS — CID 105075661

IUPAC2-methyl-N-[[3-(4-methylsulfanylphenoxy)-4-pyridinyl]methyl]propan-2-amine
SMILESCSc1ccc(Oc2cnccc2CNC(C)(C)C)cc1
InChIInChI=1S/C17H22N2OS/c1-17(2,3)19-11-13-9-10-18-12-16(13)20-14-5-7-15(21-4)8-6-14/h5-10,12,19H,11H2,1-4H3
InChIKeyKJZJJBQSOIUSFM-UHFFFAOYSA-N
MW302.44 g/mol
LogP4.48
Rot. Bonds5

About 2-methyl-N-[[3-(4-methylsulfanylphenoxy)-4-pyridinyl]methyl]propan-2-amine

2-methyl-N-[[3-(4-methylsulfanylphenoxy)-4-pyridinyl]methyl]propan-2-amine (PubChem CID 105075661) has the molecular formula C17H22N2OS and a molecular weight of 302.44 g/mol. Its IUPAC name is 2-methyl-N-[[3-(4-methylsulfanylphenoxy)-4-pyridinyl]methyl]propan-2-amine.

Molecular Properties

Compound Name2-methyl-N-[[3-(4-methylsulfanylphenoxy)-4-pyridinyl]methyl]propan-2-amine
PubChem CID105075661
Molecular FormulaC17H22N2OS
Molecular Weight302.44 g/mol
Exact Mass302.15
IUPAC Name2-methyl-N-[[3-(4-methylsulfanylphenoxy)-4-pyridinyl]methyl]propan-2-amine
SMILESCSc1ccc(Oc2cnccc2CNC(C)(C)C)cc1
InChIInChI=1S/C17H22N2OS/c1-17(2,3)19-11-13-9-10-18-12-16(13)20-14-5-7-15(21-4)8-6-14/h5-10,12,19H,11H2,1-4H3
InChIKeyKJZJJBQSOIUSFM-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

2-methyl-N-[[3-[(6-methyl-3-pyridinyl)oxy]-4-pyridinyl]methyl]propan-2-amine
CID 105074816
N-[[3-(3-bromo-5-fluorophenoxy)-4-pyridinyl]methyl]-2-methylpropan-2-amine
CID 105075842
2-methyl-N-[[3-(2-methylphenoxy)-4-pyridinyl]methyl]propan-2-amine
CID 105075329
1-[3-(4-ethoxyphenoxy)-4-pyridinyl]-N-methylmethanamine
CID 105075216
N-methyl-1-[3-[4-(trifluoromethoxy)phenoxy]-4-pyridinyl]methanamine
CID 105075970
N-[[4-(4-bromo-3-fluorophenoxy)-3-pyridinyl]methyl]-2-methylpropan-2-amine
CID 81254260
2-methyl-N-[[3-(2,2,3,3-tetrafluoropropoxy)-4-pyridinyl]methyl]propan-2-amine
CID 105075003
N-[[3-(4-propoxyphenoxy)-4-pyridinyl]methyl]ethanamine
CID 105075483
N-[[3-(3,4-dimethylcyclohexyl)oxy-4-pyridinyl]methyl]-2-methylpropan-2-amine
CID 105075746
1-[3-[4-fluoro-3-(trifluoromethyl)phenoxy]-4-pyridinyl]-N-methylmethanamine
CID 102747358
N-[[4-(3-bromophenoxy)-3-pyridinyl]methyl]-2-methylpropan-2-amine
CID 81250294
N-[[2-(4-methoxyphenoxy)phenyl]methyl]-2-methylpropan-2-amine
CID 63069839

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[3-(4-methylsulfanylphenoxy)-4-pyridinyl]methyl]propan-2-amine?
The IUPAC name of 2-methyl-N-[[3-(4-methylsulfanylphenoxy)-4-pyridinyl]methyl]propan-2-amine (CID 105075661) is 2-methyl-N-[[3-(4-methylsulfanylphenoxy)-4-pyridinyl]methyl]propan-2-amine.
What is the SMILES notation for 2-methyl-N-[[3-(4-methylsulfanylphenoxy)-4-pyridinyl]methyl]propan-2-amine?
The canonical SMILES for 2-methyl-N-[[3-(4-methylsulfanylphenoxy)-4-pyridinyl]methyl]propan-2-amine is CSc1ccc(Oc2cnccc2CNC(C)(C)C)cc1.
What is the InChIKey of 2-methyl-N-[[3-(4-methylsulfanylphenoxy)-4-pyridinyl]methyl]propan-2-amine?
The InChIKey is KJZJJBQSOIUSFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2OS/c1-17(2,3)19-11-13-9-10-18-12-16(13)20-14-5-7-15(21-4)8-6-14/h5-10,12,19H,11H2,1-4H3.
What are the key properties of 2-methyl-N-[[3-(4-methylsulfanylphenoxy)-4-pyridinyl]methyl]propan-2-amine?
2-methyl-N-[[3-(4-methylsulfanylphenoxy)-4-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-[[3-(4-methylsulfanylphenoxy)-4-pyridinyl]methyl]propan-2-amine is sourced from PubChem (CID 105075661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).