1-(2-bromofuran-3-yl)-N-methyl-1-[3-(trifluoromethoxy)phenyl]methanamine

C13H11BrF3NO2 — CID 106857562

IUPAC1-(2-bromofuran-3-yl)-N-methyl-1-[3-(trifluoromethoxy)phenyl]methanamine
SMILESCNC(c1cccc(OC(F)(F)F)c1)c1ccoc1Br
InChIInChI=1S/C13H11BrF3NO2/c1-18-11(10-5-6-19-12(10)14)8-3-2-4-9(7-8)20-13(15,16)17/h2-7,11,18H,1H3
InChIKeyVWGGBVZDNJOTHN-UHFFFAOYSA-N
MW350.13 g/mol
LogP4.25
Rot. Bonds4

About 1-(2-bromofuran-3-yl)-N-methyl-1-[3-(trifluoromethoxy)phenyl]methanamine

1-(2-bromofuran-3-yl)-N-methyl-1-[3-(trifluoromethoxy)phenyl]methanamine (PubChem CID 106857562) has the molecular formula C13H11BrF3NO2 and a molecular weight of 350.13 g/mol. Its IUPAC name is 1-(2-bromofuran-3-yl)-N-methyl-1-[3-(trifluoromethoxy)phenyl]methanamine.

Molecular Properties

Compound Name1-(2-bromofuran-3-yl)-N-methyl-1-[3-(trifluoromethoxy)phenyl]methanamine
PubChem CID106857562
Molecular FormulaC13H11BrF3NO2
Molecular Weight350.13 g/mol
Exact Mass348.99
IUPAC Name1-(2-bromofuran-3-yl)-N-methyl-1-[3-(trifluoromethoxy)phenyl]methanamine
SMILESCNC(c1cccc(OC(F)(F)F)c1)c1ccoc1Br
InChIInChI=1S/C13H11BrF3NO2/c1-18-11(10-5-6-19-12(10)14)8-3-2-4-9(7-8)20-13(15,16)17/h2-7,11,18H,1H3
InChIKeyVWGGBVZDNJOTHN-UHFFFAOYSA-N
XLogP4.25
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.13
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-1-phenyl-1-[3-(trifluoromethoxy)phenyl]methanamine
CID 62916540
1-(2-bromofuran-3-yl)-1-(3-chlorophenyl)-N-methylmethanamine
CID 106857070
1-(2-bromofuran-3-yl)-1-[3-fluoro-4-(trifluoromethyl)phenyl]-N-methylmethanamine
CID 107291665
N-[(2-bromofuran-3-yl)-(3-methoxyphenyl)methyl]ethanamine
CID 106856912
N-[(3-methylfuran-2-yl)-[3-(trifluoromethoxy)phenyl]methyl]ethanamine
CID 104805493
(2-methylfuran-3-yl)-[3-(trifluoromethoxy)phenyl]methanamine
CID 104789761
1-(2-bromofuran-3-yl)-N-methyl-1-(4-phenylphenyl)methanamine
CID 106851546
1-(3-ethoxyphenyl)-N-methyl-1-(2-methylfuran-3-yl)methanamine
CID 104789931
N-methyl-1-(3-methyl-2-pyridinyl)-1-[3-(trifluoromethoxy)phenyl]methanamine
CID 62916892
N-methyl-1-(4-methyl-1,3-thiazol-5-yl)-1-[3-(trifluoromethoxy)phenyl]methanamine
CID 105145906
N-[(5-bromofuran-2-yl)-[3-(trifluoromethoxy)phenyl]methyl]ethanamine
CID 115854117
1-(3-chloro-2-pyridinyl)-N-methyl-1-[3-(trifluoromethoxy)phenyl]methanamine
CID 103444046

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromofuran-3-yl)-N-methyl-1-[3-(trifluoromethoxy)phenyl]methanamine?
The IUPAC name of 1-(2-bromofuran-3-yl)-N-methyl-1-[3-(trifluoromethoxy)phenyl]methanamine (CID 106857562) is 1-(2-bromofuran-3-yl)-N-methyl-1-[3-(trifluoromethoxy)phenyl]methanamine.
What is the SMILES notation for 1-(2-bromofuran-3-yl)-N-methyl-1-[3-(trifluoromethoxy)phenyl]methanamine?
The canonical SMILES for 1-(2-bromofuran-3-yl)-N-methyl-1-[3-(trifluoromethoxy)phenyl]methanamine is CNC(c1cccc(OC(F)(F)F)c1)c1ccoc1Br.
What is the InChIKey of 1-(2-bromofuran-3-yl)-N-methyl-1-[3-(trifluoromethoxy)phenyl]methanamine?
The InChIKey is VWGGBVZDNJOTHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrF3NO2/c1-18-11(10-5-6-19-12(10)14)8-3-2-4-9(7-8)20-13(15,16)17/h2-7,11,18H,1H3.
What are the key properties of 1-(2-bromofuran-3-yl)-N-methyl-1-[3-(trifluoromethoxy)phenyl]methanamine?
1-(2-bromofuran-3-yl)-N-methyl-1-[3-(trifluoromethoxy)phenyl]methanamine has a molecular weight of 350.13 g/mol, XLogP of 4.25, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromofuran-3-yl)-N-methyl-1-[3-(trifluoromethoxy)phenyl]methanamine is sourced from PubChem (CID 106857562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).