1-(2-bromofuran-3-yl)-2-(2,3-difluorophenyl)-N-ethylethanamine

C14H14BrF2NO — CID 106854724

IUPAC1-(2-bromofuran-3-yl)-2-(2,3-difluorophenyl)-N-ethylethanamine
SMILESCCNC(Cc1cccc(F)c1F)c1ccoc1Br
InChIInChI=1S/C14H14BrF2NO/c1-2-18-12(10-6-7-19-14(10)15)8-9-4-3-5-11(16)13(9)17/h3-7,12,18H,2,8H2,1H3
InChIKeyHCYYPDVBHKHOJU-UHFFFAOYSA-N
MW330.17 g/mol
LogP4.21
Rot. Bonds5

About 1-(2-bromofuran-3-yl)-2-(2,3-difluorophenyl)-N-ethylethanamine

1-(2-bromofuran-3-yl)-2-(2,3-difluorophenyl)-N-ethylethanamine (PubChem CID 106854724) has the molecular formula C14H14BrF2NO and a molecular weight of 330.17 g/mol. Its IUPAC name is 1-(2-bromofuran-3-yl)-2-(2,3-difluorophenyl)-N-ethylethanamine.

Molecular Properties

Compound Name1-(2-bromofuran-3-yl)-2-(2,3-difluorophenyl)-N-ethylethanamine
PubChem CID106854724
Molecular FormulaC14H14BrF2NO
Molecular Weight330.17 g/mol
Exact Mass329.02
IUPAC Name1-(2-bromofuran-3-yl)-2-(2,3-difluorophenyl)-N-ethylethanamine
SMILESCCNC(Cc1cccc(F)c1F)c1ccoc1Br
InChIInChI=1S/C14H14BrF2NO/c1-2-18-12(10-6-7-19-14(10)15)8-9-4-3-5-11(16)13(9)17/h3-7,12,18H,2,8H2,1H3
InChIKeyHCYYPDVBHKHOJU-UHFFFAOYSA-N
XLogP4.21
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.17
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(2-bromofuran-3-yl)-2-(2,3-difluorophenyl)ethyl]propan-1-amine
CID 106854725
1-(2-bromophenyl)-2-(2,3-difluorophenyl)-N-ethylethanamine
CID 62603943
1-(2-bromofuran-3-yl)-2-(2-chlorophenyl)-N-ethylethanamine
CID 106854656
N-[2-(2-bromo-3-fluorophenyl)-1-(2-bromofuran-3-yl)ethyl]propan-1-amine
CID 106858311
N-[1-(2-bromofuran-3-yl)-2-(2-chloro-3-fluorophenyl)ethyl]propan-1-amine
CID 106858502
2-bromo-3-[1-bromo-2-(2,3-difluorophenyl)ethyl]furan
CID 106856036
2-(2,3-difluorophenyl)-N-ethyl-1-phenylethanamine
CID 55095211
2-(2,3-difluorophenyl)-1-(2,6-difluorophenyl)-N-ethylethanamine
CID 79517373
1-(2-bromo-6-fluorophenyl)-2-(2,3-difluorophenyl)-N-ethylethanamine
CID 114559964
2-(2-chloro-3-fluorophenyl)-N-ethyl-1-(2-methylfuran-3-yl)ethanamine
CID 104790179
1-(2-chlorofuran-3-yl)-2-(2,3-difluorophenyl)-N-methylethanamine
CID 106687910
1-(5-chloro-2-methylphenyl)-2-(2,3-difluorophenyl)-N-ethylethanamine
CID 82871396

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromofuran-3-yl)-2-(2,3-difluorophenyl)-N-ethylethanamine?
The IUPAC name of 1-(2-bromofuran-3-yl)-2-(2,3-difluorophenyl)-N-ethylethanamine (CID 106854724) is 1-(2-bromofuran-3-yl)-2-(2,3-difluorophenyl)-N-ethylethanamine.
What is the SMILES notation for 1-(2-bromofuran-3-yl)-2-(2,3-difluorophenyl)-N-ethylethanamine?
The canonical SMILES for 1-(2-bromofuran-3-yl)-2-(2,3-difluorophenyl)-N-ethylethanamine is CCNC(Cc1cccc(F)c1F)c1ccoc1Br.
What is the InChIKey of 1-(2-bromofuran-3-yl)-2-(2,3-difluorophenyl)-N-ethylethanamine?
The InChIKey is HCYYPDVBHKHOJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrF2NO/c1-2-18-12(10-6-7-19-14(10)15)8-9-4-3-5-11(16)13(9)17/h3-7,12,18H,2,8H2,1H3.
What are the key properties of 1-(2-bromofuran-3-yl)-2-(2,3-difluorophenyl)-N-ethylethanamine?
1-(2-bromofuran-3-yl)-2-(2,3-difluorophenyl)-N-ethylethanamine has a molecular weight of 330.17 g/mol, XLogP of 4.21, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromofuran-3-yl)-2-(2,3-difluorophenyl)-N-ethylethanamine is sourced from PubChem (CID 106854724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).