2-ethoxy-N-ethyl-2-methyl-1-thiophen-2-ylpropan-1-amine

C12H21NOS — CID 116726916

IUPAC2-ethoxy-N-ethyl-2-methyl-1-thiophen-2-ylpropan-1-amine
SMILESCCNC(c1cccs1)C(C)(C)OCC
InChIInChI=1S/C12H21NOS/c1-5-13-11(10-8-7-9-15-10)12(3,4)14-6-2/h7-9,11,13H,5-6H2,1-4H3
InChIKeyIXOPIUIEKBYKKR-UHFFFAOYSA-N
MW227.37 g/mol
LogP3.21
Rot. Bonds6

About 2-ethoxy-N-ethyl-2-methyl-1-thiophen-2-ylpropan-1-amine

2-ethoxy-N-ethyl-2-methyl-1-thiophen-2-ylpropan-1-amine (PubChem CID 116726916) has the molecular formula C12H21NOS and a molecular weight of 227.37 g/mol. Its IUPAC name is 2-ethoxy-N-ethyl-2-methyl-1-thiophen-2-ylpropan-1-amine.

Molecular Properties

Compound Name2-ethoxy-N-ethyl-2-methyl-1-thiophen-2-ylpropan-1-amine
PubChem CID116726916
Molecular FormulaC12H21NOS
Molecular Weight227.37 g/mol
Exact Mass227.13
IUPAC Name2-ethoxy-N-ethyl-2-methyl-1-thiophen-2-ylpropan-1-amine
SMILESCCNC(c1cccs1)C(C)(C)OCC
InChIInChI=1S/C12H21NOS/c1-5-13-11(10-8-7-9-15-10)12(3,4)14-6-2/h7-9,11,13H,5-6H2,1-4H3
InChIKeyIXOPIUIEKBYKKR-UHFFFAOYSA-N
XLogP3.21
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
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

2-ethoxy-N-ethyl-2-methyl-1-thiophen-2-ylbutan-1-amine
CID 116759180
1-(5-chlorothiophen-2-yl)-2-ethoxy-N-ethyl-2-methylpropan-1-amine
CID 116726933
2-(azepan-1-yl)-N-ethyl-2-methyl-1-thiophen-2-ylpropan-1-amine
CID 79051539
N-ethyl-2-methyl-2-morpholin-4-yl-1-thiophen-2-ylpropan-1-amine
CID 79052246
2-ethoxy-N-ethyl-2-methyl-1-pyridin-3-ylpropan-1-amine
CID 116726790
3-[2-ethoxy-1-(ethylamino)-2-methylpropyl]pyridin-4-amine
CID 116726937
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-ethoxy-N-ethyl-2-methylpropan-1-amine
CID 116726886
N-ethyl-1,2-dithiophen-2-ylethanamine
CID 43755169
N-ethyl-4-methyl-1-thiophen-2-ylpentan-1-amine
CID 43490552
2-[2-[(2,2-dimethyl-1-thiophen-2-ylpropyl)amino]ethoxy]ethanol
CID 111439573
3,3-diethoxy-N-[(1S)-1-thiophen-2-ylethyl]propan-1-amine
CID 81407847
2-ethoxy-3,3-dimethyl-1-thiophen-2-ylbutan-1-ol
CID 116713377

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-ethyl-2-methyl-1-thiophen-2-ylpropan-1-amine?
The IUPAC name of 2-ethoxy-N-ethyl-2-methyl-1-thiophen-2-ylpropan-1-amine (CID 116726916) is 2-ethoxy-N-ethyl-2-methyl-1-thiophen-2-ylpropan-1-amine.
What is the SMILES notation for 2-ethoxy-N-ethyl-2-methyl-1-thiophen-2-ylpropan-1-amine?
The canonical SMILES for 2-ethoxy-N-ethyl-2-methyl-1-thiophen-2-ylpropan-1-amine is CCNC(c1cccs1)C(C)(C)OCC.
What is the InChIKey of 2-ethoxy-N-ethyl-2-methyl-1-thiophen-2-ylpropan-1-amine?
The InChIKey is IXOPIUIEKBYKKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NOS/c1-5-13-11(10-8-7-9-15-10)12(3,4)14-6-2/h7-9,11,13H,5-6H2,1-4H3.
What are the key properties of 2-ethoxy-N-ethyl-2-methyl-1-thiophen-2-ylpropan-1-amine?
2-ethoxy-N-ethyl-2-methyl-1-thiophen-2-ylpropan-1-amine has a molecular weight of 227.37 g/mol, XLogP of 3.21, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-ethyl-2-methyl-1-thiophen-2-ylpropan-1-amine is sourced from PubChem (CID 116726916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).