1-(4-methylsulfanylphenoxy)-1-pyridin-2-ylpropan-2-amine

C15H18N2OS — CID 55246155

IUPAC1-(4-methylsulfanylphenoxy)-1-pyridin-2-ylpropan-2-amine
SMILESCSc1ccc(OC(c2ccccn2)C(C)N)cc1
InChIInChI=1S/C15H18N2OS/c1-11(16)15(14-5-3-4-10-17-14)18-12-6-8-13(19-2)9-7-12/h3-11,15H,16H2,1-2H3
InChIKeyZDEOHUGVOAMBFV-UHFFFAOYSA-N
MW274.39 g/mol
LogP3.27
Rot. Bonds5

About 1-(4-methylsulfanylphenoxy)-1-pyridin-2-ylpropan-2-amine

1-(4-methylsulfanylphenoxy)-1-pyridin-2-ylpropan-2-amine (PubChem CID 55246155) has the molecular formula C15H18N2OS and a molecular weight of 274.39 g/mol. Its IUPAC name is 1-(4-methylsulfanylphenoxy)-1-pyridin-2-ylpropan-2-amine.

Molecular Properties

Compound Name1-(4-methylsulfanylphenoxy)-1-pyridin-2-ylpropan-2-amine
PubChem CID55246155
Molecular FormulaC15H18N2OS
Molecular Weight274.39 g/mol
Exact Mass274.11
IUPAC Name1-(4-methylsulfanylphenoxy)-1-pyridin-2-ylpropan-2-amine
SMILESCSc1ccc(OC(c2ccccn2)C(C)N)cc1
InChIInChI=1S/C15H18N2OS/c1-11(16)15(14-5-3-4-10-17-14)18-12-6-8-13(19-2)9-7-12/h3-11,15H,16H2,1-2H3
InChIKeyZDEOHUGVOAMBFV-UHFFFAOYSA-N
XLogP3.27
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.39
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-methylsulfanylphenoxy)-1-pyridin-2-ylpropan-2-amine
CID 63648828
1-(4-bromo-3,5-dimethylphenoxy)-1-pyridin-2-ylpropan-2-amine
CID 107722871
1-(3-bromo-5-fluorophenoxy)-1-pyridin-2-ylpropan-2-amine
CID 81332247
1-(2-methoxyphenyl)-1-(4-methylsulfanylphenoxy)propan-2-amine
CID 63648489
3-(2-amino-1-pyridin-2-ylpropoxy)-5-methoxybenzonitrile
CID 103566567
1-(2-fluoro-5-methylphenoxy)-1-pyridin-2-ylpropan-2-amine
CID 64856151
2-[1-chloro-1-(4-methylsulfanylphenyl)propan-2-yl]pyridine
CID 79206044
1-(4-bromo-2-methylphenoxy)-1-pyridin-2-ylpropan-2-amine
CID 55163071
(3R)-3-pyridin-2-ylbutan-2-amine
CID 140704268
(1R,2S)-1-pyridin-2-ylpropane-1,2-diamine
CID 131142947
2-[(1R)-1-phenoxyethyl]pyridine
CID 15893448
2-[(1R)-1-[(1R)-1-pyridin-2-ylethyl]sulfanylethyl]pyridine
CID 15893453

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylsulfanylphenoxy)-1-pyridin-2-ylpropan-2-amine?
The IUPAC name of 1-(4-methylsulfanylphenoxy)-1-pyridin-2-ylpropan-2-amine (CID 55246155) is 1-(4-methylsulfanylphenoxy)-1-pyridin-2-ylpropan-2-amine.
What is the SMILES notation for 1-(4-methylsulfanylphenoxy)-1-pyridin-2-ylpropan-2-amine?
The canonical SMILES for 1-(4-methylsulfanylphenoxy)-1-pyridin-2-ylpropan-2-amine is CSc1ccc(OC(c2ccccn2)C(C)N)cc1.
What is the InChIKey of 1-(4-methylsulfanylphenoxy)-1-pyridin-2-ylpropan-2-amine?
The InChIKey is ZDEOHUGVOAMBFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2OS/c1-11(16)15(14-5-3-4-10-17-14)18-12-6-8-13(19-2)9-7-12/h3-11,15H,16H2,1-2H3.
What are the key properties of 1-(4-methylsulfanylphenoxy)-1-pyridin-2-ylpropan-2-amine?
1-(4-methylsulfanylphenoxy)-1-pyridin-2-ylpropan-2-amine has a molecular weight of 274.39 g/mol, XLogP of 3.27, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylsulfanylphenoxy)-1-pyridin-2-ylpropan-2-amine is sourced from PubChem (CID 55246155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).