1-(4-methylsulfanylphenyl)-N-(2-pyridin-4-ylethyl)ethanamine

C16H20N2S — CID 54943643

IUPAC1-(4-methylsulfanylphenyl)-N-(2-pyridin-4-ylethyl)ethanamine
SMILESCSc1ccc(C(C)NCCc2ccncc2)cc1
InChIInChI=1S/C16H20N2S/c1-13(15-3-5-16(19-2)6-4-15)18-12-9-14-7-10-17-11-8-14/h3-8,10-11,13,18H,9,12H2,1-2H3
InChIKeyMTIYOVNLRONEOH-UHFFFAOYSA-N
MW272.42 g/mol
LogP3.70
Rot. Bonds6

About 1-(4-methylsulfanylphenyl)-N-(2-pyridin-4-ylethyl)ethanamine

1-(4-methylsulfanylphenyl)-N-(2-pyridin-4-ylethyl)ethanamine (PubChem CID 54943643) has the molecular formula C16H20N2S and a molecular weight of 272.42 g/mol. Its IUPAC name is 1-(4-methylsulfanylphenyl)-N-(2-pyridin-4-ylethyl)ethanamine.

Molecular Properties

Compound Name1-(4-methylsulfanylphenyl)-N-(2-pyridin-4-ylethyl)ethanamine
PubChem CID54943643
Molecular FormulaC16H20N2S
Molecular Weight272.42 g/mol
Exact Mass272.13
IUPAC Name1-(4-methylsulfanylphenyl)-N-(2-pyridin-4-ylethyl)ethanamine
SMILESCSc1ccc(C(C)NCCc2ccncc2)cc1
InChIInChI=1S/C16H20N2S/c1-13(15-3-5-16(19-2)6-4-15)18-12-9-14-7-10-17-11-8-14/h3-8,10-11,13,18H,9,12H2,1-2H3
InChIKeyMTIYOVNLRONEOH-UHFFFAOYSA-N
XLogP3.70
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.42
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(4-chlorophenyl)ethyl]-1-(4-methylsulfanylphenyl)ethanamine
CID 43103247
1-(4-butylphenyl)-N-(2-pyridin-4-ylethyl)ethanamine
CID 60903436
N'-[1-(4-methylsulfanylphenyl)ethyl]propane-1,3-diamine
CID 60890077
N-(2-pyridin-4-ylethyl)-1-thiophen-3-ylethanamine
CID 62089117
3-methyl-N-[1-(4-methylsulfanylphenyl)ethyl]butan-1-amine
CID 43193079
1-(4-methylsulfanylphenyl)-N-[2-(1,3-thiazol-2-yl)ethyl]ethanamine
CID 63241921
N-(2-pyridin-4-ylethyl)propan-2-amine;dihydrochloride
CID 91928341
3-methyl-N-(2-pyridin-4-ylethyl)butan-2-amine
CID 60647906
1-(4-methylsulfanylphenyl)-N-[2-(1,3-thiazol-4-yl)ethyl]ethanamine
CID 55261999
1-(4-methylsulfanylphenyl)-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]ethanamine
CID 106395806
1-(4-methylsulfanylphenyl)-N-(2-methylsulfonylethyl)ethanamine
CID 54932119
(1S)-N-(2-methylsulfanylethyl)-1-pyridin-4-ylethanamine
CID 104863435

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylsulfanylphenyl)-N-(2-pyridin-4-ylethyl)ethanamine?
The IUPAC name of 1-(4-methylsulfanylphenyl)-N-(2-pyridin-4-ylethyl)ethanamine (CID 54943643) is 1-(4-methylsulfanylphenyl)-N-(2-pyridin-4-ylethyl)ethanamine.
What is the SMILES notation for 1-(4-methylsulfanylphenyl)-N-(2-pyridin-4-ylethyl)ethanamine?
The canonical SMILES for 1-(4-methylsulfanylphenyl)-N-(2-pyridin-4-ylethyl)ethanamine is CSc1ccc(C(C)NCCc2ccncc2)cc1.
What is the InChIKey of 1-(4-methylsulfanylphenyl)-N-(2-pyridin-4-ylethyl)ethanamine?
The InChIKey is MTIYOVNLRONEOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2S/c1-13(15-3-5-16(19-2)6-4-15)18-12-9-14-7-10-17-11-8-14/h3-8,10-11,13,18H,9,12H2,1-2H3.
What are the key properties of 1-(4-methylsulfanylphenyl)-N-(2-pyridin-4-ylethyl)ethanamine?
1-(4-methylsulfanylphenyl)-N-(2-pyridin-4-ylethyl)ethanamine has a molecular weight of 272.42 g/mol, XLogP of 3.70, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylsulfanylphenyl)-N-(2-pyridin-4-ylethyl)ethanamine is sourced from PubChem (CID 54943643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).