1-(3-bromothiophen-2-yl)-3-(2,3-difluorophenyl)-N-ethylpropan-2-amine

C15H16BrF2NS — CID 115849139

IUPAC1-(3-bromothiophen-2-yl)-3-(2,3-difluorophenyl)-N-ethylpropan-2-amine
SMILESCCNC(Cc1cccc(F)c1F)Cc1sccc1Br
InChIInChI=1S/C15H16BrF2NS/c1-2-19-11(9-14-12(16)6-7-20-14)8-10-4-3-5-13(17)15(10)18/h3-7,11,19H,2,8-9H2,1H3
InChIKeyZOXWKHRLZNEILB-UHFFFAOYSA-N
MW360.27 g/mol
LogP4.55
Rot. Bonds6

About 1-(3-bromothiophen-2-yl)-3-(2,3-difluorophenyl)-N-ethylpropan-2-amine

1-(3-bromothiophen-2-yl)-3-(2,3-difluorophenyl)-N-ethylpropan-2-amine (PubChem CID 115849139) has the molecular formula C15H16BrF2NS and a molecular weight of 360.27 g/mol. Its IUPAC name is 1-(3-bromothiophen-2-yl)-3-(2,3-difluorophenyl)-N-ethylpropan-2-amine.

Molecular Properties

Compound Name1-(3-bromothiophen-2-yl)-3-(2,3-difluorophenyl)-N-ethylpropan-2-amine
PubChem CID115849139
Molecular FormulaC15H16BrF2NS
Molecular Weight360.27 g/mol
Exact Mass359.02
IUPAC Name1-(3-bromothiophen-2-yl)-3-(2,3-difluorophenyl)-N-ethylpropan-2-amine
SMILESCCNC(Cc1cccc(F)c1F)Cc1sccc1Br
InChIInChI=1S/C15H16BrF2NS/c1-2-19-11(9-14-12(16)6-7-20-14)8-10-4-3-5-13(17)15(10)18/h3-7,11,19H,2,8-9H2,1H3
InChIKeyZOXWKHRLZNEILB-UHFFFAOYSA-N
XLogP4.55
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.27
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-bromothiophen-2-yl)-N-ethyl-3-(4-fluorophenyl)propan-2-amine
CID 62602453
2-(3-bromothiophen-2-yl)-N-ethyl-1-(2-fluorophenyl)ethanamine
CID 63085065
1-(3-bromothiophen-2-yl)-3-(3-chlorophenyl)-N-ethylpropan-2-amine
CID 63412081
1-(2,3-difluorophenyl)-N-ethyl-3-(4-iodophenyl)propan-2-amine
CID 115864310
1-(2,3-difluorophenyl)-N-ethyl-3-(4-methylphenyl)propan-2-amine
CID 62605093
1-(2,3-difluorophenyl)-N-ethyl-3-methoxypropan-2-amine
CID 62604659
1-(2-bromo-6-fluorophenyl)-2-(2,3-difluorophenyl)-N-ethylethanamine
CID 114559964
1-(2,3-difluorophenyl)-N-ethyl-4-methoxybutan-2-amine
CID 55095513
N-[2-(3-bromothiophen-2-yl)-1-(2,6-difluorophenyl)ethyl]propan-1-amine
CID 79522485
1-(3-bromothiophen-2-yl)-3-(2-methylphenyl)-N-propylpropan-2-amine
CID 63417463
1-(2-bromo-5-fluorophenyl)-N-ethyl-3-(2-fluorophenyl)propan-2-amine
CID 62605376
1-(2-bromophenyl)-2-(2,3-difluorophenyl)-N-ethylethanamine
CID 62603943

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromothiophen-2-yl)-3-(2,3-difluorophenyl)-N-ethylpropan-2-amine?
The IUPAC name of 1-(3-bromothiophen-2-yl)-3-(2,3-difluorophenyl)-N-ethylpropan-2-amine (CID 115849139) is 1-(3-bromothiophen-2-yl)-3-(2,3-difluorophenyl)-N-ethylpropan-2-amine.
What is the SMILES notation for 1-(3-bromothiophen-2-yl)-3-(2,3-difluorophenyl)-N-ethylpropan-2-amine?
The canonical SMILES for 1-(3-bromothiophen-2-yl)-3-(2,3-difluorophenyl)-N-ethylpropan-2-amine is CCNC(Cc1cccc(F)c1F)Cc1sccc1Br.
What is the InChIKey of 1-(3-bromothiophen-2-yl)-3-(2,3-difluorophenyl)-N-ethylpropan-2-amine?
The InChIKey is ZOXWKHRLZNEILB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrF2NS/c1-2-19-11(9-14-12(16)6-7-20-14)8-10-4-3-5-13(17)15(10)18/h3-7,11,19H,2,8-9H2,1H3.
What are the key properties of 1-(3-bromothiophen-2-yl)-3-(2,3-difluorophenyl)-N-ethylpropan-2-amine?
1-(3-bromothiophen-2-yl)-3-(2,3-difluorophenyl)-N-ethylpropan-2-amine has a molecular weight of 360.27 g/mol, XLogP of 4.55, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromothiophen-2-yl)-3-(2,3-difluorophenyl)-N-ethylpropan-2-amine is sourced from PubChem (CID 115849139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).