N-ethyl-1-[5-(4-methylsulfanylphenoxy)-2-pyridinyl]propan-1-amine

C17H22N2OS — CID 115940125

IUPACN-ethyl-1-[5-(4-methylsulfanylphenoxy)-2-pyridinyl]propan-1-amine
SMILESCCNC(CC)c1ccc(Oc2ccc(SC)cc2)cn1
InChIInChI=1S/C17H22N2OS/c1-4-16(18-5-2)17-11-8-14(12-19-17)20-13-6-9-15(21-3)10-7-13/h6-12,16,18H,4-5H2,1-3H3
InChIKeyWPWXOPKLTTXTQL-UHFFFAOYSA-N
MW302.44 g/mol
LogP4.66
Rot. Bonds7

About N-ethyl-1-[5-(4-methylsulfanylphenoxy)-2-pyridinyl]propan-1-amine

N-ethyl-1-[5-(4-methylsulfanylphenoxy)-2-pyridinyl]propan-1-amine (PubChem CID 115940125) has the molecular formula C17H22N2OS and a molecular weight of 302.44 g/mol. Its IUPAC name is N-ethyl-1-[5-(4-methylsulfanylphenoxy)-2-pyridinyl]propan-1-amine.

Molecular Properties

Compound NameN-ethyl-1-[5-(4-methylsulfanylphenoxy)-2-pyridinyl]propan-1-amine
PubChem CID115940125
Molecular FormulaC17H22N2OS
Molecular Weight302.44 g/mol
Exact Mass302.15
IUPAC NameN-ethyl-1-[5-(4-methylsulfanylphenoxy)-2-pyridinyl]propan-1-amine
SMILESCCNC(CC)c1ccc(Oc2ccc(SC)cc2)cn1
InChIInChI=1S/C17H22N2OS/c1-4-16(18-5-2)17-11-8-14(12-19-17)20-13-6-9-15(21-3)10-7-13/h6-12,16,18H,4-5H2,1-3H3
InChIKeyWPWXOPKLTTXTQL-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

N-ethyl-1-[5-[(6-methyl-3-pyridinyl)oxy]-2-pyridinyl]propan-1-amine
CID 115940101
N-ethyl-1-[5-(3-fluorophenoxy)-2-pyridinyl]propan-1-amine
CID 115939974
N-ethyl-1-[5-(2-methylphenoxy)-2-pyridinyl]propan-1-amine
CID 115939959
1-(5-phenoxy-2-pyridinyl)-N-propylpropan-1-amine
CID 115939962
N-ethyl-1-(5-ethylsulfanyl-2-pyridinyl)propan-1-amine
CID 112584977
1-[5-(5-bromo-2-fluorophenoxy)-2-pyridinyl]-N-ethylpropan-1-amine
CID 114673855
1-[5-(2-chloro-5-methylphenoxy)-2-pyridinyl]-N-ethylpropan-1-amine
CID 115940035
N-ethyl-1-(5-pyridin-4-ylsulfanyl-2-pyridinyl)propan-1-amine
CID 112585179
N-propyl-1-(5-pyridin-3-yloxy-2-pyridinyl)propan-1-amine
CID 115940028
N-ethyl-1-[5-(4-methylphenoxy)-2-pyridinyl]ethanamine
CID 83128001
3-[[6-[1-(ethylamino)propyl]-3-pyridinyl]sulfanyl]butan-2-ol
CID 107770916
1-(5-methoxy-2-pyridinyl)-N-propylpropan-1-amine
CID 112584694

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-[5-(4-methylsulfanylphenoxy)-2-pyridinyl]propan-1-amine?
The IUPAC name of N-ethyl-1-[5-(4-methylsulfanylphenoxy)-2-pyridinyl]propan-1-amine (CID 115940125) is N-ethyl-1-[5-(4-methylsulfanylphenoxy)-2-pyridinyl]propan-1-amine.
What is the SMILES notation for N-ethyl-1-[5-(4-methylsulfanylphenoxy)-2-pyridinyl]propan-1-amine?
The canonical SMILES for N-ethyl-1-[5-(4-methylsulfanylphenoxy)-2-pyridinyl]propan-1-amine is CCNC(CC)c1ccc(Oc2ccc(SC)cc2)cn1.
What is the InChIKey of N-ethyl-1-[5-(4-methylsulfanylphenoxy)-2-pyridinyl]propan-1-amine?
The InChIKey is WPWXOPKLTTXTQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2OS/c1-4-16(18-5-2)17-11-8-14(12-19-17)20-13-6-9-15(21-3)10-7-13/h6-12,16,18H,4-5H2,1-3H3.
What are the key properties of N-ethyl-1-[5-(4-methylsulfanylphenoxy)-2-pyridinyl]propan-1-amine?
N-ethyl-1-[5-(4-methylsulfanylphenoxy)-2-pyridinyl]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-ethyl-1-[5-(4-methylsulfanylphenoxy)-2-pyridinyl]propan-1-amine is sourced from PubChem (CID 115940125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).