1-(2,6-difluorophenyl)-N-ethyl-4-thiophen-2-ylbutan-2-amine

C16H19F2NS — CID 115861194

IUPAC1-(2,6-difluorophenyl)-N-ethyl-4-thiophen-2-ylbutan-2-amine
SMILESCCNC(CCc1cccs1)Cc1c(F)cccc1F
InChIInChI=1S/C16H19F2NS/c1-2-19-12(8-9-13-5-4-10-20-13)11-14-15(17)6-3-7-16(14)18/h3-7,10,12,19H,2,8-9,11H2,1H3
InChIKeyYJWWWFCWUFHQEH-UHFFFAOYSA-N
MW295.40 g/mol
LogP4.18
Rot. Bonds7

About 1-(2,6-difluorophenyl)-N-ethyl-4-thiophen-2-ylbutan-2-amine

1-(2,6-difluorophenyl)-N-ethyl-4-thiophen-2-ylbutan-2-amine (PubChem CID 115861194) has the molecular formula C16H19F2NS and a molecular weight of 295.40 g/mol. Its IUPAC name is 1-(2,6-difluorophenyl)-N-ethyl-4-thiophen-2-ylbutan-2-amine.

Molecular Properties

Compound Name1-(2,6-difluorophenyl)-N-ethyl-4-thiophen-2-ylbutan-2-amine
PubChem CID115861194
Molecular FormulaC16H19F2NS
Molecular Weight295.40 g/mol
Exact Mass295.12
IUPAC Name1-(2,6-difluorophenyl)-N-ethyl-4-thiophen-2-ylbutan-2-amine
SMILESCCNC(CCc1cccs1)Cc1c(F)cccc1F
InChIInChI=1S/C16H19F2NS/c1-2-19-12(8-9-13-5-4-10-20-13)11-14-15(17)6-3-7-16(14)18/h3-7,10,12,19H,2,8-9,11H2,1H3
InChIKeyYJWWWFCWUFHQEH-UHFFFAOYSA-N
XLogP4.18
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.40
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-chlorophenyl)-N-ethyl-4-thiophen-2-ylbutan-2-amine
CID 63774235
N-ethyl-6,6,6-trifluoro-1-thiophen-2-ylhexan-3-amine
CID 79952596
1-(2-chloro-4-fluorophenyl)-N-ethyl-4-thiophen-2-ylbutan-2-amine
CID 63776191
N-ethyl-5-methyl-1-thiophen-2-ylheptan-3-amine
CID 115860879
N-ethyl-1-ethylsulfanyl-4-thiophen-2-ylbutan-2-amine
CID 65128461
N-ethyl-1-(5-ethylthiophen-2-yl)-5-thiophen-2-ylpentan-2-amine
CID 105136134
1-N,1-N,3-N-triethyl-5-thiophen-2-ylpentane-1,3-diamine
CID 79087726
N-ethyl-1-(3-methylphenyl)-5-thiophen-2-ylpentan-3-amine
CID 105150411
N-ethyl-1-propoxy-4-thiophen-2-ylbutan-2-amine
CID 63775940
N-ethyl-1-propylsulfanyl-4-thiophen-2-ylbutan-2-amine
CID 65128746
N-ethyl-5-methyl-1-thiophen-2-ylhexan-2-amine
CID 61065868
1-(2,6-difluorophenyl)-N-ethyl-6,6,6-trifluorohexan-2-amine
CID 105024336

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-difluorophenyl)-N-ethyl-4-thiophen-2-ylbutan-2-amine?
The IUPAC name of 1-(2,6-difluorophenyl)-N-ethyl-4-thiophen-2-ylbutan-2-amine (CID 115861194) is 1-(2,6-difluorophenyl)-N-ethyl-4-thiophen-2-ylbutan-2-amine.
What is the SMILES notation for 1-(2,6-difluorophenyl)-N-ethyl-4-thiophen-2-ylbutan-2-amine?
The canonical SMILES for 1-(2,6-difluorophenyl)-N-ethyl-4-thiophen-2-ylbutan-2-amine is CCNC(CCc1cccs1)Cc1c(F)cccc1F.
What is the InChIKey of 1-(2,6-difluorophenyl)-N-ethyl-4-thiophen-2-ylbutan-2-amine?
The InChIKey is YJWWWFCWUFHQEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19F2NS/c1-2-19-12(8-9-13-5-4-10-20-13)11-14-15(17)6-3-7-16(14)18/h3-7,10,12,19H,2,8-9,11H2,1H3.
What are the key properties of 1-(2,6-difluorophenyl)-N-ethyl-4-thiophen-2-ylbutan-2-amine?
1-(2,6-difluorophenyl)-N-ethyl-4-thiophen-2-ylbutan-2-amine has a molecular weight of 295.40 g/mol, XLogP of 4.18, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-difluorophenyl)-N-ethyl-4-thiophen-2-ylbutan-2-amine is sourced from PubChem (CID 115861194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).