1-(2-bromofuran-3-yl)-2-(3,4-difluorophenyl)-N-methylethanamine

C13H12BrF2NO — CID 106854729

IUPAC1-(2-bromofuran-3-yl)-2-(3,4-difluorophenyl)-N-methylethanamine
SMILESCNC(Cc1ccc(F)c(F)c1)c1ccoc1Br
InChIInChI=1S/C13H12BrF2NO/c1-17-12(9-4-5-18-13(9)14)7-8-2-3-10(15)11(16)6-8/h2-6,12,17H,7H2,1H3
InChIKeyYZQMKRFTUWNDGZ-UHFFFAOYSA-N
MW316.15 g/mol
LogP3.82
Rot. Bonds4

About 1-(2-bromofuran-3-yl)-2-(3,4-difluorophenyl)-N-methylethanamine

1-(2-bromofuran-3-yl)-2-(3,4-difluorophenyl)-N-methylethanamine (PubChem CID 106854729) has the molecular formula C13H12BrF2NO and a molecular weight of 316.15 g/mol. Its IUPAC name is 1-(2-bromofuran-3-yl)-2-(3,4-difluorophenyl)-N-methylethanamine.

Molecular Properties

Compound Name1-(2-bromofuran-3-yl)-2-(3,4-difluorophenyl)-N-methylethanamine
PubChem CID106854729
Molecular FormulaC13H12BrF2NO
Molecular Weight316.15 g/mol
Exact Mass315.01
IUPAC Name1-(2-bromofuran-3-yl)-2-(3,4-difluorophenyl)-N-methylethanamine
SMILESCNC(Cc1ccc(F)c(F)c1)c1ccoc1Br
InChIInChI=1S/C13H12BrF2NO/c1-17-12(9-4-5-18-13(9)14)7-8-2-3-10(15)11(16)6-8/h2-6,12,17H,7H2,1H3
InChIKeyYZQMKRFTUWNDGZ-UHFFFAOYSA-N
XLogP3.82
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.15
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-bromofuran-3-yl)-2-(5-chloro-2-fluorophenyl)-N-methylethanamine
CID 106858959
1-(2-bromofuran-3-yl)-N-methyl-2-(4-propan-2-ylphenyl)ethanamine
CID 106857333
1-(2-chloro-4,5-difluorophenyl)-2-(3,4-difluorophenyl)-N-methylethanamine
CID 107476269
1-(3-bromo-2,6-difluorophenyl)-2-(3,4-difluorophenyl)-N-methylethanamine
CID 106944913
1-(4-bromo-5-methylthiophen-2-yl)-2-(3,4-difluorophenyl)-N-methylethanamine
CID 102827313
N-[1-(2-chlorofuran-3-yl)-2-(3,4-difluorophenyl)ethyl]propan-1-amine
CID 106687928
1-(5-bromo-2-fluorophenyl)-2-(4-bromophenyl)-N-methylethanamine
CID 63529120
1-(2-bromophenyl)-2-(3-chloro-4-fluorophenyl)-N-methylethanamine
CID 103039915
1-(2-bromofuran-3-yl)-2-(4-chloro-3-fluorophenyl)ethanol
CID 107894521
2-(3-bromo-4-fluorophenyl)-1-(2,4-difluorophenyl)-N-methylethanamine
CID 63084053
2-(3,5-difluorophenyl)-N-methyl-1-(2-methylfuran-3-yl)ethanamine
CID 105406972
[2-(3,4-difluorophenyl)-1-(3-methylfuran-2-yl)ethyl]hydrazine
CID 105269465

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromofuran-3-yl)-2-(3,4-difluorophenyl)-N-methylethanamine?
The IUPAC name of 1-(2-bromofuran-3-yl)-2-(3,4-difluorophenyl)-N-methylethanamine (CID 106854729) is 1-(2-bromofuran-3-yl)-2-(3,4-difluorophenyl)-N-methylethanamine.
What is the SMILES notation for 1-(2-bromofuran-3-yl)-2-(3,4-difluorophenyl)-N-methylethanamine?
The canonical SMILES for 1-(2-bromofuran-3-yl)-2-(3,4-difluorophenyl)-N-methylethanamine is CNC(Cc1ccc(F)c(F)c1)c1ccoc1Br.
What is the InChIKey of 1-(2-bromofuran-3-yl)-2-(3,4-difluorophenyl)-N-methylethanamine?
The InChIKey is YZQMKRFTUWNDGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrF2NO/c1-17-12(9-4-5-18-13(9)14)7-8-2-3-10(15)11(16)6-8/h2-6,12,17H,7H2,1H3.
What are the key properties of 1-(2-bromofuran-3-yl)-2-(3,4-difluorophenyl)-N-methylethanamine?
1-(2-bromofuran-3-yl)-2-(3,4-difluorophenyl)-N-methylethanamine has a molecular weight of 316.15 g/mol, XLogP of 3.82, 4 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-(3,4-difluorophenyl)-N-methylethanamine is sourced from PubChem (CID 106854729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).