N-[1-[5-(2-methylsulfanylphenoxy)-2-pyridinyl]ethyl]propan-1-amine

C17H22N2OS — CID 83111227

IUPACN-[1-[5-(2-methylsulfanylphenoxy)-2-pyridinyl]ethyl]propan-1-amine
SMILESCCCNC(C)c1ccc(Oc2ccccc2SC)cn1
InChIInChI=1S/C17H22N2OS/c1-4-11-18-13(2)15-10-9-14(12-19-15)20-16-7-5-6-8-17(16)21-3/h5-10,12-13,18H,4,11H2,1-3H3
InChIKeyQDVOXNJJSBXBMV-UHFFFAOYSA-N
MW302.44 g/mol
LogP4.66
Rot. Bonds7

About N-[1-[5-(2-methylsulfanylphenoxy)-2-pyridinyl]ethyl]propan-1-amine

N-[1-[5-(2-methylsulfanylphenoxy)-2-pyridinyl]ethyl]propan-1-amine (PubChem CID 83111227) has the molecular formula C17H22N2OS and a molecular weight of 302.44 g/mol. Its IUPAC name is N-[1-[5-(2-methylsulfanylphenoxy)-2-pyridinyl]ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-[5-(2-methylsulfanylphenoxy)-2-pyridinyl]ethyl]propan-1-amine
PubChem CID83111227
Molecular FormulaC17H22N2OS
Molecular Weight302.44 g/mol
Exact Mass302.15
IUPAC NameN-[1-[5-(2-methylsulfanylphenoxy)-2-pyridinyl]ethyl]propan-1-amine
SMILESCCCNC(C)c1ccc(Oc2ccccc2SC)cn1
InChIInChI=1S/C17H22N2OS/c1-4-11-18-13(2)15-10-9-14(12-19-15)20-16-7-5-6-8-17(16)21-3/h5-10,12-13,18H,4,11H2,1-3H3
InChIKeyQDVOXNJJSBXBMV-UHFFFAOYSA-N
XLogP4.66
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.44
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[5-(2-bromophenoxy)-2-pyridinyl]-N-ethylethanamine
CID 83126946
N-[1-[5-(2-chloro-5-methylphenoxy)-2-pyridinyl]ethyl]propan-1-amine
CID 83111420
N-ethyl-1-[5-(5-fluoro-2-methylphenoxy)-2-pyridinyl]ethanamine
CID 102982283
3-[[6-[1-(propylamino)ethyl]-3-pyridinyl]oxy]propan-1-ol
CID 83124172
N-[1-[5-(2-fluorophenyl)sulfanyl-2-pyridinyl]ethyl]propan-1-amine
CID 83123962
1-(5-phenoxy-2-pyridinyl)-N-propylpropan-1-amine
CID 115939962
N-[1-[2-(4-fluorophenoxy)phenyl]ethyl]propan-1-amine
CID 43285515
N-[1-[5-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-2-pyridinyl]ethyl]propan-1-amine
CID 115942116
N-[1-[5-[2-(2-methylpropoxy)ethoxy]-2-pyridinyl]ethyl]propan-1-amine
CID 106447905
N-[1-[4-(2-iodophenoxy)phenyl]ethyl]propan-1-amine
CID 43479752
1-[5-(2-bromophenoxy)-2-pyridinyl]-N-methylethanamine
CID 83127027
N-[1-[4-(2-fluorophenoxy)phenyl]ethyl]propan-1-amine
CID 43285398

Frequently Asked Questions

What is the IUPAC name of N-[1-[5-(2-methylsulfanylphenoxy)-2-pyridinyl]ethyl]propan-1-amine?
The IUPAC name of N-[1-[5-(2-methylsulfanylphenoxy)-2-pyridinyl]ethyl]propan-1-amine (CID 83111227) is N-[1-[5-(2-methylsulfanylphenoxy)-2-pyridinyl]ethyl]propan-1-amine.
What is the SMILES notation for N-[1-[5-(2-methylsulfanylphenoxy)-2-pyridinyl]ethyl]propan-1-amine?
The canonical SMILES for N-[1-[5-(2-methylsulfanylphenoxy)-2-pyridinyl]ethyl]propan-1-amine is CCCNC(C)c1ccc(Oc2ccccc2SC)cn1.
What is the InChIKey of N-[1-[5-(2-methylsulfanylphenoxy)-2-pyridinyl]ethyl]propan-1-amine?
The InChIKey is QDVOXNJJSBXBMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2OS/c1-4-11-18-13(2)15-10-9-14(12-19-15)20-16-7-5-6-8-17(16)21-3/h5-10,12-13,18H,4,11H2,1-3H3.
What are the key properties of N-[1-[5-(2-methylsulfanylphenoxy)-2-pyridinyl]ethyl]propan-1-amine?
N-[1-[5-(2-methylsulfanylphenoxy)-2-pyridinyl]ethyl]propan-1-amine has a molecular weight of 302.44 g/mol, XLogP of 4.66, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[5-(2-methylsulfanylphenoxy)-2-pyridinyl]ethyl]propan-1-amine is sourced from PubChem (CID 83111227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).