2-ethoxy-N-propyl-1-thiophen-2-ylpropan-1-amine

C12H21NOS — CID 64534607

IUPAC2-ethoxy-N-propyl-1-thiophen-2-ylpropan-1-amine
SMILESCCCNC(c1cccs1)C(C)OCC
InChIInChI=1S/C12H21NOS/c1-4-8-13-12(10(3)14-5-2)11-7-6-9-15-11/h6-7,9-10,12-13H,4-5,8H2,1-3H3
InChIKeyKTDJNFJMYMMWFA-UHFFFAOYSA-N
MW227.37 g/mol
LogP3.21
Rot. Bonds7

About 2-ethoxy-N-propyl-1-thiophen-2-ylpropan-1-amine

2-ethoxy-N-propyl-1-thiophen-2-ylpropan-1-amine (PubChem CID 64534607) has the molecular formula C12H21NOS and a molecular weight of 227.37 g/mol. Its IUPAC name is 2-ethoxy-N-propyl-1-thiophen-2-ylpropan-1-amine.

Molecular Properties

Compound Name2-ethoxy-N-propyl-1-thiophen-2-ylpropan-1-amine
PubChem CID64534607
Molecular FormulaC12H21NOS
Molecular Weight227.37 g/mol
Exact Mass227.13
IUPAC Name2-ethoxy-N-propyl-1-thiophen-2-ylpropan-1-amine
SMILESCCCNC(c1cccs1)C(C)OCC
InChIInChI=1S/C12H21NOS/c1-4-8-13-12(10(3)14-5-2)11-7-6-9-15-11/h6-7,9-10,12-13H,4-5,8H2,1-3H3
InChIKeyKTDJNFJMYMMWFA-UHFFFAOYSA-N
XLogP3.21
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.37
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,2-difluoro-1-thiophen-2-ylethyl)propan-1-amine
CID 103759718
3-methyl-2-phenyl-N-propyl-1-thiophen-2-ylpentan-1-amine
CID 43495942
3,3-diethoxy-N-[(1S)-1-thiophen-2-ylethyl]propan-1-amine
CID 81407847
2-ethoxy-1-thiophen-2-ylpropan-1-ol
CID 64541559
3,3,3-trifluoro-N-propyl-1-thiophen-2-yl-2-(trifluoromethyl)propan-1-amine
CID 103309616
3-methyl-N-(2-methyl-1-thiophen-2-ylpropyl)butan-1-amine
CID 43225862
(2-ethoxy-3-methyl-1-thiophen-2-ylbutyl)hydrazine
CID 105272371
N-propyl-1-thiophen-2-ylpent-4-yn-1-amine
CID 63657512
3-phenyl-N-propyl-1-thiophen-2-ylpropan-1-amine
CID 43495958
N-[cyclopropyl(thiophen-2-yl)methyl]propan-1-amine
CID 43495964
2-ethoxy-1-(2-methoxy-5-methylphenyl)-N-propylpropan-1-amine
CID 64535027
3-ethyl-N-propyl-1-thiophen-2-ylheptan-1-amine
CID 63414646

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-propyl-1-thiophen-2-ylpropan-1-amine?
The IUPAC name of 2-ethoxy-N-propyl-1-thiophen-2-ylpropan-1-amine (CID 64534607) is 2-ethoxy-N-propyl-1-thiophen-2-ylpropan-1-amine.
What is the SMILES notation for 2-ethoxy-N-propyl-1-thiophen-2-ylpropan-1-amine?
The canonical SMILES for 2-ethoxy-N-propyl-1-thiophen-2-ylpropan-1-amine is CCCNC(c1cccs1)C(C)OCC.
What is the InChIKey of 2-ethoxy-N-propyl-1-thiophen-2-ylpropan-1-amine?
The InChIKey is KTDJNFJMYMMWFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NOS/c1-4-8-13-12(10(3)14-5-2)11-7-6-9-15-11/h6-7,9-10,12-13H,4-5,8H2,1-3H3.
What are the key properties of 2-ethoxy-N-propyl-1-thiophen-2-ylpropan-1-amine?
2-ethoxy-N-propyl-1-thiophen-2-ylpropan-1-amine has a molecular weight of 227.37 g/mol, XLogP of 3.21, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-propyl-1-thiophen-2-ylpropan-1-amine is sourced from PubChem (CID 64534607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).