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

C15H20N2OS — CID 112584875

IUPACN-ethyl-1-[5-(thiophen-2-ylmethoxy)-2-pyridinyl]propan-1-amine
SMILESCCNC(CC)c1ccc(OCc2cccs2)cn1
InChIInChI=1S/C15H20N2OS/c1-3-14(16-4-2)15-8-7-12(10-17-15)18-11-13-6-5-9-19-13/h5-10,14,16H,3-4,11H2,1-2H3
InChIKeyOWKWJQNDQRYAHN-UHFFFAOYSA-N
MW276.40 g/mol
LogP3.78
Rot. Bonds7

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

N-ethyl-1-[5-(thiophen-2-ylmethoxy)-2-pyridinyl]propan-1-amine (PubChem CID 112584875) has the molecular formula C15H20N2OS and a molecular weight of 276.40 g/mol. Its IUPAC name is N-ethyl-1-[5-(thiophen-2-ylmethoxy)-2-pyridinyl]propan-1-amine.

Molecular Properties

Compound NameN-ethyl-1-[5-(thiophen-2-ylmethoxy)-2-pyridinyl]propan-1-amine
PubChem CID112584875
Molecular FormulaC15H20N2OS
Molecular Weight276.40 g/mol
Exact Mass276.13
IUPAC NameN-ethyl-1-[5-(thiophen-2-ylmethoxy)-2-pyridinyl]propan-1-amine
SMILESCCNC(CC)c1ccc(OCc2cccs2)cn1
InChIInChI=1S/C15H20N2OS/c1-3-14(16-4-2)15-8-7-12(10-17-15)18-11-13-6-5-9-19-13/h5-10,14,16H,3-4,11H2,1-2H3
InChIKeyOWKWJQNDQRYAHN-UHFFFAOYSA-N
XLogP3.78
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.40
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-1-[5-(thiophen-2-ylmethoxy)-2-pyridinyl]propan-1-amine
CID 112584876
(1R)-1-[5-(thiophen-2-ylmethoxy)-2-pyridinyl]propan-1-amine
CID 103937928
N-ethyl-1-[5-[(6-methyl-3-pyridinyl)oxy]-2-pyridinyl]propan-1-amine
CID 115940101
N-ethyl-1-[5-(2-methylphenoxy)-2-pyridinyl]propan-1-amine
CID 115939959
N-[1-[5-(2-thiophen-2-ylethoxy)-2-pyridinyl]ethyl]propan-1-amine
CID 83124267
2-[5-(thiophen-2-ylmethoxy)-2-pyridinyl]ethanamine
CID 79800061
N-ethyl-1-[5-(4-methylsulfanylphenoxy)-2-pyridinyl]propan-1-amine
CID 115940125
N-ethyl-1-[5-(2-pyrrolidin-1-ylethoxy)-2-pyridinyl]propan-1-amine
CID 115940076
N-ethyl-1-[5-[2-(3-methoxypropoxy)ethoxy]-2-pyridinyl]propan-1-amine
CID 103178110
N-ethyl-1-[5-(3-fluorophenoxy)-2-pyridinyl]propan-1-amine
CID 115939974
1-(5-ethoxy-2-pyridinyl)-N-propylpropan-1-amine
CID 112584697
1-(5-methoxy-2-pyridinyl)-N-propylpropan-1-amine
CID 112584694

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-[5-(thiophen-2-ylmethoxy)-2-pyridinyl]propan-1-amine?
The IUPAC name of N-ethyl-1-[5-(thiophen-2-ylmethoxy)-2-pyridinyl]propan-1-amine (CID 112584875) is N-ethyl-1-[5-(thiophen-2-ylmethoxy)-2-pyridinyl]propan-1-amine.
What is the SMILES notation for N-ethyl-1-[5-(thiophen-2-ylmethoxy)-2-pyridinyl]propan-1-amine?
The canonical SMILES for N-ethyl-1-[5-(thiophen-2-ylmethoxy)-2-pyridinyl]propan-1-amine is CCNC(CC)c1ccc(OCc2cccs2)cn1.
What is the InChIKey of N-ethyl-1-[5-(thiophen-2-ylmethoxy)-2-pyridinyl]propan-1-amine?
The InChIKey is OWKWJQNDQRYAHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2OS/c1-3-14(16-4-2)15-8-7-12(10-17-15)18-11-13-6-5-9-19-13/h5-10,14,16H,3-4,11H2,1-2H3.
What are the key properties of N-ethyl-1-[5-(thiophen-2-ylmethoxy)-2-pyridinyl]propan-1-amine?
N-ethyl-1-[5-(thiophen-2-ylmethoxy)-2-pyridinyl]propan-1-amine has a molecular weight of 276.40 g/mol, XLogP of 3.78, 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-(thiophen-2-ylmethoxy)-2-pyridinyl]propan-1-amine is sourced from PubChem (CID 112584875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).