3-(2,2-difluoroethoxy)-N-ethyl-1-(5-ethylthiophen-2-yl)propan-1-amine

C13H21F2NOS — CID 103207287

IUPAC3-(2,2-difluoroethoxy)-N-ethyl-1-(5-ethylthiophen-2-yl)propan-1-amine
SMILESCCNC(CCOCC(F)F)c1ccc(CC)s1
InChIInChI=1S/C13H21F2NOS/c1-3-10-5-6-12(18-10)11(16-4-2)7-8-17-9-13(14)15/h5-6,11,13,16H,3-4,7-9H2,1-2H3
InChIKeyMJBCGUFGDMCBDO-UHFFFAOYSA-N
MW277.38 g/mol
LogP3.63
Rot. Bonds9

About 3-(2,2-difluoroethoxy)-N-ethyl-1-(5-ethylthiophen-2-yl)propan-1-amine

3-(2,2-difluoroethoxy)-N-ethyl-1-(5-ethylthiophen-2-yl)propan-1-amine (PubChem CID 103207287) has the molecular formula C13H21F2NOS and a molecular weight of 277.38 g/mol. Its IUPAC name is 3-(2,2-difluoroethoxy)-N-ethyl-1-(5-ethylthiophen-2-yl)propan-1-amine.

Molecular Properties

Compound Name3-(2,2-difluoroethoxy)-N-ethyl-1-(5-ethylthiophen-2-yl)propan-1-amine
PubChem CID103207287
Molecular FormulaC13H21F2NOS
Molecular Weight277.38 g/mol
Exact Mass277.13
IUPAC Name3-(2,2-difluoroethoxy)-N-ethyl-1-(5-ethylthiophen-2-yl)propan-1-amine
SMILESCCNC(CCOCC(F)F)c1ccc(CC)s1
InChIInChI=1S/C13H21F2NOS/c1-3-10-5-6-12(18-10)11(16-4-2)7-8-17-9-13(14)15/h5-6,11,13,16H,3-4,7-9H2,1-2H3
InChIKeyMJBCGUFGDMCBDO-UHFFFAOYSA-N
XLogP3.63
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.38
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(5-chlorothiophen-2-yl)-3-(2,2-difluoroethoxy)-N-ethylpropan-1-amine
CID 103149716
N-ethyl-1-(5-ethylthiophen-2-yl)-2-(2,2,2-trifluoroethoxy)ethanamine
CID 103207286
3-(2,2-difluoroethoxy)-N-ethyl-1-(4-ethylphenyl)propan-1-amine
CID 103149543
3-(2,2-difluoroethoxy)-N-ethyl-1-(4-propan-2-ylphenyl)propan-1-amine
CID 103149707
N-ethyl-1-(5-ethylthiophen-2-yl)ethane-1,2-diamine
CID 62344671
4-(2,2-difluoroethoxy)-1-(5-ethylthiophen-2-yl)-N-methylbutan-2-amine
CID 103149430
3-(2,2-difluoroethoxy)-1-(2,5-dimethylfuran-3-yl)-N-ethylpropan-1-amine
CID 103207491
3-(2,2-difluoroethoxy)-N-ethyl-1-(4-fluoro-2-methylphenyl)propan-1-amine
CID 103149759
3-(2,2-difluoroethoxy)-N-ethyl-1-(2,3,4-trifluorophenyl)propan-1-amine
CID 103149624
3-(2,2-difluoroethoxy)-N-ethyl-1-(2,4,6-trifluorophenyl)propan-1-amine
CID 103207306
1-(5-ethylthiophen-2-yl)-N-propylbutan-1-amine
CID 43494311
1-(5-ethylthiophen-2-yl)-N-[2-(2-methylpropoxy)ethyl]ethanamine
CID 115713770

Frequently Asked Questions

What is the IUPAC name of 3-(2,2-difluoroethoxy)-N-ethyl-1-(5-ethylthiophen-2-yl)propan-1-amine?
The IUPAC name of 3-(2,2-difluoroethoxy)-N-ethyl-1-(5-ethylthiophen-2-yl)propan-1-amine (CID 103207287) is 3-(2,2-difluoroethoxy)-N-ethyl-1-(5-ethylthiophen-2-yl)propan-1-amine.
What is the SMILES notation for 3-(2,2-difluoroethoxy)-N-ethyl-1-(5-ethylthiophen-2-yl)propan-1-amine?
The canonical SMILES for 3-(2,2-difluoroethoxy)-N-ethyl-1-(5-ethylthiophen-2-yl)propan-1-amine is CCNC(CCOCC(F)F)c1ccc(CC)s1.
What is the InChIKey of 3-(2,2-difluoroethoxy)-N-ethyl-1-(5-ethylthiophen-2-yl)propan-1-amine?
The InChIKey is MJBCGUFGDMCBDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21F2NOS/c1-3-10-5-6-12(18-10)11(16-4-2)7-8-17-9-13(14)15/h5-6,11,13,16H,3-4,7-9H2,1-2H3.
What are the key properties of 3-(2,2-difluoroethoxy)-N-ethyl-1-(5-ethylthiophen-2-yl)propan-1-amine?
3-(2,2-difluoroethoxy)-N-ethyl-1-(5-ethylthiophen-2-yl)propan-1-amine has a molecular weight of 277.38 g/mol, XLogP of 3.63, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-difluoroethoxy)-N-ethyl-1-(5-ethylthiophen-2-yl)propan-1-amine is sourced from PubChem (CID 103207287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).