1-(4-bromothiophen-3-yl)-2-(3,5-difluorophenyl)-N-ethylethanamine

C14H14BrF2NS — CID 79596411

IUPAC1-(4-bromothiophen-3-yl)-2-(3,5-difluorophenyl)-N-ethylethanamine
SMILESCCNC(Cc1cc(F)cc(F)c1)c1cscc1Br
InChIInChI=1S/C14H14BrF2NS/c1-2-18-14(12-7-19-8-13(12)15)5-9-3-10(16)6-11(17)4-9/h3-4,6-8,14,18H,2,5H2,1H3
InChIKeyPAZHEFZGXRGOCL-UHFFFAOYSA-N
MW346.24 g/mol
LogP4.68
Rot. Bonds5

About 1-(4-bromothiophen-3-yl)-2-(3,5-difluorophenyl)-N-ethylethanamine

1-(4-bromothiophen-3-yl)-2-(3,5-difluorophenyl)-N-ethylethanamine (PubChem CID 79596411) has the molecular formula C14H14BrF2NS and a molecular weight of 346.24 g/mol. Its IUPAC name is 1-(4-bromothiophen-3-yl)-2-(3,5-difluorophenyl)-N-ethylethanamine.

Molecular Properties

Compound Name1-(4-bromothiophen-3-yl)-2-(3,5-difluorophenyl)-N-ethylethanamine
PubChem CID79596411
Molecular FormulaC14H14BrF2NS
Molecular Weight346.24 g/mol
Exact Mass345.00
IUPAC Name1-(4-bromothiophen-3-yl)-2-(3,5-difluorophenyl)-N-ethylethanamine
SMILESCCNC(Cc1cc(F)cc(F)c1)c1cscc1Br
InChIInChI=1S/C14H14BrF2NS/c1-2-18-14(12-7-19-8-13(12)15)5-9-3-10(16)6-11(17)4-9/h3-4,6-8,14,18H,2,5H2,1H3
InChIKeyPAZHEFZGXRGOCL-UHFFFAOYSA-N
XLogP4.68
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.24
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-bromo-3-fluorophenyl)-2-(3,5-difluorophenyl)-N-ethylethanamine
CID 105412447
1-(4-bromo-3-methylphenyl)-2-(3,5-difluorophenyl)-N-ethylethanamine
CID 105412567
1-(4-bromothiophen-3-yl)-2-(2,5-dimethylphenyl)-N-ethylethanamine
CID 105010523
2-(3-bromo-5-fluorophenyl)-1-(2-bromo-5-methylphenyl)-N-ethylethanamine
CID 105015550
1-(5-bromofuran-2-yl)-2-(3,5-difluorophenyl)-N-ethylethanamine
CID 105412461
2-(3,5-difluorophenyl)-1-(2,5-dimethylphenyl)-N-ethylethanamine
CID 63416923
2-(3,5-difluorophenyl)-N-ethyl-1-(2-methylfuran-3-yl)ethanamine
CID 105406974
N-[1-(4-bromothiophen-3-yl)-2-(3,4-dimethylphenyl)ethyl]propan-1-amine
CID 79596087
2-(3-bromo-5-fluorophenyl)-1-(3-chloro-4-methylthiophen-2-yl)-N-ethylethanamine
CID 103406816
2-(3-bromo-5-fluorophenyl)-1-(2,5-dimethylfuran-3-yl)-N-ethylethanamine
CID 105015627
N-[1-(2-bromophenyl)-2-(3,5-difluorophenyl)ethyl]propan-1-amine
CID 105406037
2-(3,5-difluorophenyl)-N-ethyl-1-(4-ethylphenyl)ethanamine
CID 63416924

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromothiophen-3-yl)-2-(3,5-difluorophenyl)-N-ethylethanamine?
The IUPAC name of 1-(4-bromothiophen-3-yl)-2-(3,5-difluorophenyl)-N-ethylethanamine (CID 79596411) is 1-(4-bromothiophen-3-yl)-2-(3,5-difluorophenyl)-N-ethylethanamine.
What is the SMILES notation for 1-(4-bromothiophen-3-yl)-2-(3,5-difluorophenyl)-N-ethylethanamine?
The canonical SMILES for 1-(4-bromothiophen-3-yl)-2-(3,5-difluorophenyl)-N-ethylethanamine is CCNC(Cc1cc(F)cc(F)c1)c1cscc1Br.
What is the InChIKey of 1-(4-bromothiophen-3-yl)-2-(3,5-difluorophenyl)-N-ethylethanamine?
The InChIKey is PAZHEFZGXRGOCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrF2NS/c1-2-18-14(12-7-19-8-13(12)15)5-9-3-10(16)6-11(17)4-9/h3-4,6-8,14,18H,2,5H2,1H3.
What are the key properties of 1-(4-bromothiophen-3-yl)-2-(3,5-difluorophenyl)-N-ethylethanamine?
1-(4-bromothiophen-3-yl)-2-(3,5-difluorophenyl)-N-ethylethanamine has a molecular weight of 346.24 g/mol, XLogP of 4.68, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromothiophen-3-yl)-2-(3,5-difluorophenyl)-N-ethylethanamine is sourced from PubChem (CID 79596411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).