1-(3-bromothiophen-2-yl)-3-(3,5-difluorophenyl)-N-ethylpropan-2-amine

C15H16BrF2NS — CID 62604284

IUPAC1-(3-bromothiophen-2-yl)-3-(3,5-difluorophenyl)-N-ethylpropan-2-amine
SMILESCCNC(Cc1cc(F)cc(F)c1)Cc1sccc1Br
InChIInChI=1S/C15H16BrF2NS/c1-2-19-13(9-15-14(16)3-4-20-15)7-10-5-11(17)8-12(18)6-10/h3-6,8,13,19H,2,7,9H2,1H3
InChIKeyCUDVCRKHANADMM-UHFFFAOYSA-N
MW360.27 g/mol
LogP4.55
Rot. Bonds6

About 1-(3-bromothiophen-2-yl)-3-(3,5-difluorophenyl)-N-ethylpropan-2-amine

1-(3-bromothiophen-2-yl)-3-(3,5-difluorophenyl)-N-ethylpropan-2-amine (PubChem CID 62604284) has the molecular formula C15H16BrF2NS and a molecular weight of 360.27 g/mol. Its IUPAC name is 1-(3-bromothiophen-2-yl)-3-(3,5-difluorophenyl)-N-ethylpropan-2-amine.

Molecular Properties

Compound Name1-(3-bromothiophen-2-yl)-3-(3,5-difluorophenyl)-N-ethylpropan-2-amine
PubChem CID62604284
Molecular FormulaC15H16BrF2NS
Molecular Weight360.27 g/mol
Exact Mass359.02
IUPAC Name1-(3-bromothiophen-2-yl)-3-(3,5-difluorophenyl)-N-ethylpropan-2-amine
SMILESCCNC(Cc1cc(F)cc(F)c1)Cc1sccc1Br
InChIInChI=1S/C15H16BrF2NS/c1-2-19-13(9-15-14(16)3-4-20-15)7-10-5-11(17)8-12(18)6-10/h3-6,8,13,19H,2,7,9H2,1H3
InChIKeyCUDVCRKHANADMM-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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Frequently Asked Questions

What is the IUPAC name of 1-(3-bromothiophen-2-yl)-3-(3,5-difluorophenyl)-N-ethylpropan-2-amine?
The IUPAC name of 1-(3-bromothiophen-2-yl)-3-(3,5-difluorophenyl)-N-ethylpropan-2-amine (CID 62604284) is 1-(3-bromothiophen-2-yl)-3-(3,5-difluorophenyl)-N-ethylpropan-2-amine.
What is the SMILES notation for 1-(3-bromothiophen-2-yl)-3-(3,5-difluorophenyl)-N-ethylpropan-2-amine?
The canonical SMILES for 1-(3-bromothiophen-2-yl)-3-(3,5-difluorophenyl)-N-ethylpropan-2-amine is CCNC(Cc1cc(F)cc(F)c1)Cc1sccc1Br.
What is the InChIKey of 1-(3-bromothiophen-2-yl)-3-(3,5-difluorophenyl)-N-ethylpropan-2-amine?
The InChIKey is CUDVCRKHANADMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrF2NS/c1-2-19-13(9-15-14(16)3-4-20-15)7-10-5-11(17)8-12(18)6-10/h3-6,8,13,19H,2,7,9H2,1H3.
What are the key properties of 1-(3-bromothiophen-2-yl)-3-(3,5-difluorophenyl)-N-ethylpropan-2-amine?
1-(3-bromothiophen-2-yl)-3-(3,5-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-(3,5-difluorophenyl)-N-ethylpropan-2-amine is sourced from PubChem (CID 62604284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).