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

C17H22N2S — CID 79218018

IUPACN-ethyl-1-(2-methylsulfanylphenyl)-2-pyridin-4-ylpropan-1-amine
SMILESCCNC(c1ccccc1SC)C(C)c1ccncc1
InChIInChI=1S/C17H22N2S/c1-4-19-17(13(2)14-9-11-18-12-10-14)15-7-5-6-8-16(15)20-3/h5-13,17,19H,4H2,1-3H3
InChIKeyLGORJXWRTKAHKW-UHFFFAOYSA-N
MW286.44 g/mol
LogP4.26
Rot. Bonds6

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

N-ethyl-1-(2-methylsulfanylphenyl)-2-pyridin-4-ylpropan-1-amine (PubChem CID 79218018) has the molecular formula C17H22N2S and a molecular weight of 286.44 g/mol. Its IUPAC name is N-ethyl-1-(2-methylsulfanylphenyl)-2-pyridin-4-ylpropan-1-amine.

Molecular Properties

Compound NameN-ethyl-1-(2-methylsulfanylphenyl)-2-pyridin-4-ylpropan-1-amine
PubChem CID79218018
Molecular FormulaC17H22N2S
Molecular Weight286.44 g/mol
Exact Mass286.15
IUPAC NameN-ethyl-1-(2-methylsulfanylphenyl)-2-pyridin-4-ylpropan-1-amine
SMILESCCNC(c1ccccc1SC)C(C)c1ccncc1
InChIInChI=1S/C17H22N2S/c1-4-19-17(13(2)14-9-11-18-12-10-14)15-7-5-6-8-16(15)20-3/h5-13,17,19H,4H2,1-3H3
InChIKeyLGORJXWRTKAHKW-UHFFFAOYSA-N
XLogP4.26
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.44
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-1-(2-methylsulfanylphenyl)-2-pyridin-2-ylpropan-1-amine
CID 79217320
1-(2-bromofuran-3-yl)-N-ethyl-2-pyridin-4-ylpropan-1-amine
CID 106854815
1-(1-benzothiophen-3-yl)-N-ethyl-2-pyridin-4-ylpropan-1-amine
CID 66446000
1-(1-benzothiophen-2-yl)-N-ethyl-2-pyridin-4-ylpropan-1-amine
CID 66446195
1-(5-bromo-2-methylphenyl)-N-ethyl-2-pyridin-4-ylpropan-1-amine
CID 66446193
N-ethyl-2-methyl-1-pyridin-4-ylpropan-1-amine
CID 60820043
1-(2-fluorophenyl)-N-methyl-2-pyridin-4-ylpropan-1-amine
CID 66446959
1-phenyl-N-propyl-2-pyridin-4-ylpropan-1-amine
CID 66448538
1-(3-bromo-4-fluorophenyl)-N-ethyl-2-pyridin-4-ylpropan-1-amine
CID 107955410
1-(4-methylsulfanylphenyl)-N-propyl-2-pyridin-4-ylpropan-1-amine
CID 79213623
1-(3-bromo-5-methylphenyl)-N-ethyl-2-pyridin-4-ylpropan-1-amine
CID 104853272
N-[pyridin-4-yl-[2-(trifluoromethyl)phenyl]methyl]ethanamine
CID 62802970

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(2-methylsulfanylphenyl)-2-pyridin-4-ylpropan-1-amine?
The IUPAC name of N-ethyl-1-(2-methylsulfanylphenyl)-2-pyridin-4-ylpropan-1-amine (CID 79218018) is N-ethyl-1-(2-methylsulfanylphenyl)-2-pyridin-4-ylpropan-1-amine.
What is the SMILES notation for N-ethyl-1-(2-methylsulfanylphenyl)-2-pyridin-4-ylpropan-1-amine?
The canonical SMILES for N-ethyl-1-(2-methylsulfanylphenyl)-2-pyridin-4-ylpropan-1-amine is CCNC(c1ccccc1SC)C(C)c1ccncc1.
What is the InChIKey of N-ethyl-1-(2-methylsulfanylphenyl)-2-pyridin-4-ylpropan-1-amine?
The InChIKey is LGORJXWRTKAHKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2S/c1-4-19-17(13(2)14-9-11-18-12-10-14)15-7-5-6-8-16(15)20-3/h5-13,17,19H,4H2,1-3H3.
What are the key properties of N-ethyl-1-(2-methylsulfanylphenyl)-2-pyridin-4-ylpropan-1-amine?
N-ethyl-1-(2-methylsulfanylphenyl)-2-pyridin-4-ylpropan-1-amine has a molecular weight of 286.44 g/mol, XLogP of 4.26, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(2-methylsulfanylphenyl)-2-pyridin-4-ylpropan-1-amine is sourced from PubChem (CID 79218018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).