1-(4-methylsulfanylphenyl)-N-propyl-2-pyridin-4-ylpropan-1-amine

C18H24N2S — CID 79213623

IUPAC1-(4-methylsulfanylphenyl)-N-propyl-2-pyridin-4-ylpropan-1-amine
SMILESCCCNC(c1ccc(SC)cc1)C(C)c1ccncc1
InChIInChI=1S/C18H24N2S/c1-4-11-20-18(14(2)15-9-12-19-13-10-15)16-5-7-17(21-3)8-6-16/h5-10,12-14,18,20H,4,11H2,1-3H3
InChIKeyCYGWJMPZAZKSJT-UHFFFAOYSA-N
MW300.47 g/mol
LogP4.65
Rot. Bonds7

About 1-(4-methylsulfanylphenyl)-N-propyl-2-pyridin-4-ylpropan-1-amine

1-(4-methylsulfanylphenyl)-N-propyl-2-pyridin-4-ylpropan-1-amine (PubChem CID 79213623) has the molecular formula C18H24N2S and a molecular weight of 300.47 g/mol. Its IUPAC name is 1-(4-methylsulfanylphenyl)-N-propyl-2-pyridin-4-ylpropan-1-amine.

Molecular Properties

Compound Name1-(4-methylsulfanylphenyl)-N-propyl-2-pyridin-4-ylpropan-1-amine
PubChem CID79213623
Molecular FormulaC18H24N2S
Molecular Weight300.47 g/mol
Exact Mass300.17
IUPAC Name1-(4-methylsulfanylphenyl)-N-propyl-2-pyridin-4-ylpropan-1-amine
SMILESCCCNC(c1ccc(SC)cc1)C(C)c1ccncc1
InChIInChI=1S/C18H24N2S/c1-4-11-20-18(14(2)15-9-12-19-13-10-15)16-5-7-17(21-3)8-6-16/h5-10,12-14,18,20H,4,11H2,1-3H3
InChIKeyCYGWJMPZAZKSJT-UHFFFAOYSA-N
XLogP4.65
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.47
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-fluorophenyl)-N-propyl-2-pyridin-4-ylpropan-1-amine
CID 66447962
1-(4-iodophenyl)-N-propyl-2-pyridin-4-ylpropan-1-amine
CID 66446199
1-phenyl-N-propyl-2-pyridin-4-ylpropan-1-amine
CID 66448538
2-methyl-1-(4-methylsulfanylphenyl)-N-propylbutan-1-amine
CID 105017368
1-(3-bromo-5-fluorophenyl)-N-propyl-2-pyridin-4-ylpropan-1-amine
CID 66446400
1-(2,6-dichlorophenyl)-N-propyl-2-pyridin-4-ylpropan-1-amine
CID 66448152
N-propyl-2-pyridin-2-yl-1-pyridin-4-ylpropan-1-amine
CID 66447627
1-(5-iodothiophen-3-yl)-N-propyl-2-pyridin-4-ylpropan-1-amine
CID 79692893
1-(4-methylsulfanylphenyl)-N-(2-pyridin-4-ylethyl)ethanamine
CID 54943643
1-(3-ethylthiophen-2-yl)-N-propyl-2-pyridin-4-ylpropan-1-amine
CID 79975032
1-(4,5-dimethylthiophen-2-yl)-N-propyl-2-pyridin-4-ylpropan-1-amine
CID 66446198
N-ethyl-1-(2-methylsulfanylphenyl)-2-pyridin-4-ylpropan-1-amine
CID 79218018

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylsulfanylphenyl)-N-propyl-2-pyridin-4-ylpropan-1-amine?
The IUPAC name of 1-(4-methylsulfanylphenyl)-N-propyl-2-pyridin-4-ylpropan-1-amine (CID 79213623) is 1-(4-methylsulfanylphenyl)-N-propyl-2-pyridin-4-ylpropan-1-amine.
What is the SMILES notation for 1-(4-methylsulfanylphenyl)-N-propyl-2-pyridin-4-ylpropan-1-amine?
The canonical SMILES for 1-(4-methylsulfanylphenyl)-N-propyl-2-pyridin-4-ylpropan-1-amine is CCCNC(c1ccc(SC)cc1)C(C)c1ccncc1.
What is the InChIKey of 1-(4-methylsulfanylphenyl)-N-propyl-2-pyridin-4-ylpropan-1-amine?
The InChIKey is CYGWJMPZAZKSJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2S/c1-4-11-20-18(14(2)15-9-12-19-13-10-15)16-5-7-17(21-3)8-6-16/h5-10,12-14,18,20H,4,11H2,1-3H3.
What are the key properties of 1-(4-methylsulfanylphenyl)-N-propyl-2-pyridin-4-ylpropan-1-amine?
1-(4-methylsulfanylphenyl)-N-propyl-2-pyridin-4-ylpropan-1-amine has a molecular weight of 300.47 g/mol, XLogP of 4.65, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylsulfanylphenyl)-N-propyl-2-pyridin-4-ylpropan-1-amine is sourced from PubChem (CID 79213623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).