1-(2-bromofuran-3-yl)-1-[3-fluoro-4-(trifluoromethyl)phenyl]-N-methylmethanamine

C13H10BrF4NO — CID 107291665

IUPAC1-(2-bromofuran-3-yl)-1-[3-fluoro-4-(trifluoromethyl)phenyl]-N-methylmethanamine
SMILESCNC(c1ccc(C(F)(F)F)c(F)c1)c1ccoc1Br
InChIInChI=1S/C13H10BrF4NO/c1-19-11(8-4-5-20-12(8)14)7-2-3-9(10(15)6-7)13(16,17)18/h2-6,11,19H,1H3
InChIKeyZABSWPHTIUGEMH-UHFFFAOYSA-N
MW352.13 g/mol
LogP4.51
Rot. Bonds3

About 1-(2-bromofuran-3-yl)-1-[3-fluoro-4-(trifluoromethyl)phenyl]-N-methylmethanamine

1-(2-bromofuran-3-yl)-1-[3-fluoro-4-(trifluoromethyl)phenyl]-N-methylmethanamine (PubChem CID 107291665) has the molecular formula C13H10BrF4NO and a molecular weight of 352.13 g/mol. Its IUPAC name is 1-(2-bromofuran-3-yl)-1-[3-fluoro-4-(trifluoromethyl)phenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-(2-bromofuran-3-yl)-1-[3-fluoro-4-(trifluoromethyl)phenyl]-N-methylmethanamine
PubChem CID107291665
Molecular FormulaC13H10BrF4NO
Molecular Weight352.13 g/mol
Exact Mass350.99
IUPAC Name1-(2-bromofuran-3-yl)-1-[3-fluoro-4-(trifluoromethyl)phenyl]-N-methylmethanamine
SMILESCNC(c1ccc(C(F)(F)F)c(F)c1)c1ccoc1Br
InChIInChI=1S/C13H10BrF4NO/c1-19-11(8-4-5-20-12(8)14)7-2-3-9(10(15)6-7)13(16,17)18/h2-6,11,19H,1H3
InChIKeyZABSWPHTIUGEMH-UHFFFAOYSA-N
XLogP4.51
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.13
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,5-dimethylfuran-3-yl)-1-[3-fluoro-4-(trifluoromethyl)phenyl]-N-methylmethanamine
CID 107291435
1-(2-bromofuran-3-yl)-1-(3-chlorophenyl)-N-methylmethanamine
CID 106857070
[(2-chlorofuran-3-yl)-[3-fluoro-4-(trifluoromethyl)phenyl]methyl]hydrazine
CID 107292531
1-(2-bromofuran-3-yl)-N-methyl-1-[3-(trifluoromethoxy)phenyl]methanamine
CID 106857562
N-[(2-bromofuran-3-yl)-(3,4-difluorophenyl)methyl]ethanamine
CID 106851633
1-(2-bromofuran-3-yl)-N-methyl-1-(4-phenylphenyl)methanamine
CID 106851546
1-(1,5-dimethylpyrazol-4-yl)-1-[3-fluoro-4-(trifluoromethyl)phenyl]-N-methylmethanamine
CID 107291427
1-(2-bromofuran-3-yl)-N-methyl-1-(3-methyl-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methanamine
CID 106851825
1-[3-fluoro-4-(trifluoromethyl)phenyl]-1-(3-iodophenyl)-N-methylmethanamine
CID 107291463
1-[3-fluoro-4-(trifluoromethyl)phenyl]-N-methyl-1-thiophen-3-ylmethanamine
CID 107288767
1-[3-fluoro-4-(trifluoromethyl)phenyl]-N-methyl-1-thiophen-2-ylmethanamine
CID 107288722
1-[3-fluoro-4-(trifluoromethyl)phenyl]-N-methyl-1-(2-methylpyrazol-3-yl)methanamine
CID 107291694

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromofuran-3-yl)-1-[3-fluoro-4-(trifluoromethyl)phenyl]-N-methylmethanamine?
The IUPAC name of 1-(2-bromofuran-3-yl)-1-[3-fluoro-4-(trifluoromethyl)phenyl]-N-methylmethanamine (CID 107291665) is 1-(2-bromofuran-3-yl)-1-[3-fluoro-4-(trifluoromethyl)phenyl]-N-methylmethanamine.
What is the SMILES notation for 1-(2-bromofuran-3-yl)-1-[3-fluoro-4-(trifluoromethyl)phenyl]-N-methylmethanamine?
The canonical SMILES for 1-(2-bromofuran-3-yl)-1-[3-fluoro-4-(trifluoromethyl)phenyl]-N-methylmethanamine is CNC(c1ccc(C(F)(F)F)c(F)c1)c1ccoc1Br.
What is the InChIKey of 1-(2-bromofuran-3-yl)-1-[3-fluoro-4-(trifluoromethyl)phenyl]-N-methylmethanamine?
The InChIKey is ZABSWPHTIUGEMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrF4NO/c1-19-11(8-4-5-20-12(8)14)7-2-3-9(10(15)6-7)13(16,17)18/h2-6,11,19H,1H3.
What are the key properties of 1-(2-bromofuran-3-yl)-1-[3-fluoro-4-(trifluoromethyl)phenyl]-N-methylmethanamine?
1-(2-bromofuran-3-yl)-1-[3-fluoro-4-(trifluoromethyl)phenyl]-N-methylmethanamine has a molecular weight of 352.13 g/mol, XLogP of 4.51, 3 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)-1-[3-fluoro-4-(trifluoromethyl)phenyl]-N-methylmethanamine is sourced from PubChem (CID 107291665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).