1-(2-pyridin-2-ylethoxy)-1-thiophen-2-ylbutan-2-amine

C15H20N2OS — CID 55021086

IUPAC1-(2-pyridin-2-ylethoxy)-1-thiophen-2-ylbutan-2-amine
SMILESCCC(N)C(OCCc1ccccn1)c1cccs1
InChIInChI=1S/C15H20N2OS/c1-2-13(16)15(14-7-5-11-19-14)18-10-8-12-6-3-4-9-17-12/h3-7,9,11,13,15H,2,8,10,16H2,1H3
InChIKeySEMDCXPIBKZLJE-UHFFFAOYSA-N
MW276.40 g/mol
LogP3.18
Rot. Bonds7

About 1-(2-pyridin-2-ylethoxy)-1-thiophen-2-ylbutan-2-amine

1-(2-pyridin-2-ylethoxy)-1-thiophen-2-ylbutan-2-amine (PubChem CID 55021086) has the molecular formula C15H20N2OS and a molecular weight of 276.40 g/mol. Its IUPAC name is 1-(2-pyridin-2-ylethoxy)-1-thiophen-2-ylbutan-2-amine.

Molecular Properties

Compound Name1-(2-pyridin-2-ylethoxy)-1-thiophen-2-ylbutan-2-amine
PubChem CID55021086
Molecular FormulaC15H20N2OS
Molecular Weight276.40 g/mol
Exact Mass276.13
IUPAC Name1-(2-pyridin-2-ylethoxy)-1-thiophen-2-ylbutan-2-amine
SMILESCCC(N)C(OCCc1ccccn1)c1cccs1
InChIInChI=1S/C15H20N2OS/c1-2-13(16)15(14-7-5-11-19-14)18-10-8-12-6-3-4-9-17-12/h3-7,9,11,13,15H,2,8,10,16H2,1H3
InChIKeySEMDCXPIBKZLJE-UHFFFAOYSA-N
XLogP3.18
TPSA48.14 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 ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-hexoxy-1-thiophen-2-ylbutan-2-amine
CID 55021024
1-[(4-chlorophenyl)methoxy]-1-thiophen-2-ylbutan-2-amine
CID 65124390
3-(2-pyridin-2-ylethoxy)pentanenitrile
CID 43175139
(1R)-1-[4-(2-pyridin-2-ylethoxy)phenyl]propan-1-amine
CID 78937530
2-amino-N-methyl-N-(2-pyridin-2-ylethyl)-2-thiophen-2-ylacetamide
CID 115285974
(2S)-4-pyridin-2-ylbutan-2-amine
CID 22831528
1-[(3-bromophenyl)methoxy]-1-thiophen-2-ylbutan-2-amine
CID 82827669
ethyl 3-(2-pyridin-2-ylethoxy)butanoate
CID 115001946
N-propan-2-yl-N-(2-pyridin-2-ylethoxy)propan-2-amine
CID 19697050
1-(oxolan-3-ylmethoxy)-1-thiophen-2-ylbutan-2-amine
CID 55021106
3-ethoxy-1-pyridin-2-ylpentan-2-amine
CID 116716297
2-[2-(ethoxymethoxy)ethyl]pyridine
CID 20729603

Frequently Asked Questions

What is the IUPAC name of 1-(2-pyridin-2-ylethoxy)-1-thiophen-2-ylbutan-2-amine?
The IUPAC name of 1-(2-pyridin-2-ylethoxy)-1-thiophen-2-ylbutan-2-amine (CID 55021086) is 1-(2-pyridin-2-ylethoxy)-1-thiophen-2-ylbutan-2-amine.
What is the SMILES notation for 1-(2-pyridin-2-ylethoxy)-1-thiophen-2-ylbutan-2-amine?
The canonical SMILES for 1-(2-pyridin-2-ylethoxy)-1-thiophen-2-ylbutan-2-amine is CCC(N)C(OCCc1ccccn1)c1cccs1.
What is the InChIKey of 1-(2-pyridin-2-ylethoxy)-1-thiophen-2-ylbutan-2-amine?
The InChIKey is SEMDCXPIBKZLJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2OS/c1-2-13(16)15(14-7-5-11-19-14)18-10-8-12-6-3-4-9-17-12/h3-7,9,11,13,15H,2,8,10,16H2,1H3.
What are the key properties of 1-(2-pyridin-2-ylethoxy)-1-thiophen-2-ylbutan-2-amine?
1-(2-pyridin-2-ylethoxy)-1-thiophen-2-ylbutan-2-amine has a molecular weight of 276.40 g/mol, XLogP of 3.18, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-pyridin-2-ylethoxy)-1-thiophen-2-ylbutan-2-amine is sourced from PubChem (CID 55021086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).