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

C14H14BrF2NO — CID 105412461

IUPAC1-(5-bromofuran-2-yl)-2-(3,5-difluorophenyl)-N-ethylethanamine
SMILESCCNC(Cc1cc(F)cc(F)c1)c1ccc(Br)o1
InChIInChI=1S/C14H14BrF2NO/c1-2-18-12(13-3-4-14(15)19-13)7-9-5-10(16)8-11(17)6-9/h3-6,8,12,18H,2,7H2,1H3
InChIKeyZHCJRGBPANRATR-UHFFFAOYSA-N
MW330.17 g/mol
LogP4.21
Rot. Bonds5

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

1-(5-bromofuran-2-yl)-2-(3,5-difluorophenyl)-N-ethylethanamine (PubChem CID 105412461) has the molecular formula C14H14BrF2NO and a molecular weight of 330.17 g/mol. Its IUPAC name is 1-(5-bromofuran-2-yl)-2-(3,5-difluorophenyl)-N-ethylethanamine.

Molecular Properties

Compound Name1-(5-bromofuran-2-yl)-2-(3,5-difluorophenyl)-N-ethylethanamine
PubChem CID105412461
Molecular FormulaC14H14BrF2NO
Molecular Weight330.17 g/mol
Exact Mass329.02
IUPAC Name1-(5-bromofuran-2-yl)-2-(3,5-difluorophenyl)-N-ethylethanamine
SMILESCCNC(Cc1cc(F)cc(F)c1)c1ccc(Br)o1
InChIInChI=1S/C14H14BrF2NO/c1-2-18-12(13-3-4-14(15)19-13)7-9-5-10(16)8-11(17)6-9/h3-6,8,12,18H,2,7H2,1H3
InChIKeyZHCJRGBPANRATR-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-(5-bromofuran-2-yl)-2-(3,5-difluorophenyl)ethyl]propan-1-amine
CID 105412533
2-(3-bromo-4-fluorophenyl)-1-(5-bromofuran-2-yl)-N-ethylethanamine
CID 115818887
1-(5-bromofuran-2-yl)-2-(4-bromophenyl)-N-ethylethanamine
CID 61064969
1-(5-bromofuran-2-yl)-N-ethyl-2-(3-methylphenyl)ethanamine
CID 55067944
2-(4-bromo-2-fluorophenyl)-1-(5-bromofuran-2-yl)-N-ethylethanamine
CID 115844705
1-(5-bromofuran-2-yl)-2-(3-bromo-4-methoxyphenyl)-N-ethylethanamine
CID 115818150
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
2-(3,5-difluorophenyl)-N-ethyl-1-(2,4,5-trimethylfuran-3-yl)ethanamine
CID 105412346
2-(3,5-difluorophenyl)-N-ethyl-1-(4-ethylphenyl)ethanamine
CID 63416924
1-(4-bromothiophen-3-yl)-2-(3,5-difluorophenyl)-N-ethylethanamine
CID 79596411
2-(3,5-difluorophenyl)-N-ethyl-1-(2-methylfuran-3-yl)ethanamine
CID 105406974

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromofuran-2-yl)-2-(3,5-difluorophenyl)-N-ethylethanamine?
The IUPAC name of 1-(5-bromofuran-2-yl)-2-(3,5-difluorophenyl)-N-ethylethanamine (CID 105412461) is 1-(5-bromofuran-2-yl)-2-(3,5-difluorophenyl)-N-ethylethanamine.
What is the SMILES notation for 1-(5-bromofuran-2-yl)-2-(3,5-difluorophenyl)-N-ethylethanamine?
The canonical SMILES for 1-(5-bromofuran-2-yl)-2-(3,5-difluorophenyl)-N-ethylethanamine is CCNC(Cc1cc(F)cc(F)c1)c1ccc(Br)o1.
What is the InChIKey of 1-(5-bromofuran-2-yl)-2-(3,5-difluorophenyl)-N-ethylethanamine?
The InChIKey is ZHCJRGBPANRATR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrF2NO/c1-2-18-12(13-3-4-14(15)19-13)7-9-5-10(16)8-11(17)6-9/h3-6,8,12,18H,2,7H2,1H3.
What are the key properties of 1-(5-bromofuran-2-yl)-2-(3,5-difluorophenyl)-N-ethylethanamine?
1-(5-bromofuran-2-yl)-2-(3,5-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-(5-bromofuran-2-yl)-2-(3,5-difluorophenyl)-N-ethylethanamine is sourced from PubChem (CID 105412461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).