1-(5-bromofuran-2-yl)-N-methyl-2-[4-(trifluoromethyl)phenyl]ethanamine

C14H13BrF3NO — CID 62114221

IUPAC1-(5-bromofuran-2-yl)-N-methyl-2-[4-(trifluoromethyl)phenyl]ethanamine
SMILESCNC(Cc1ccc(C(F)(F)F)cc1)c1ccc(Br)o1
InChIInChI=1S/C14H13BrF3NO/c1-19-11(12-6-7-13(15)20-12)8-9-2-4-10(5-3-9)14(16,17)18/h2-7,11,19H,8H2,1H3
InChIKeyRMOLAHQCUZSZEX-UHFFFAOYSA-N
MW348.16 g/mol
LogP4.56
Rot. Bonds4

About 1-(5-bromofuran-2-yl)-N-methyl-2-[4-(trifluoromethyl)phenyl]ethanamine

1-(5-bromofuran-2-yl)-N-methyl-2-[4-(trifluoromethyl)phenyl]ethanamine (PubChem CID 62114221) has the molecular formula C14H13BrF3NO and a molecular weight of 348.16 g/mol. Its IUPAC name is 1-(5-bromofuran-2-yl)-N-methyl-2-[4-(trifluoromethyl)phenyl]ethanamine.

Molecular Properties

Compound Name1-(5-bromofuran-2-yl)-N-methyl-2-[4-(trifluoromethyl)phenyl]ethanamine
PubChem CID62114221
Molecular FormulaC14H13BrF3NO
Molecular Weight348.16 g/mol
Exact Mass347.01
IUPAC Name1-(5-bromofuran-2-yl)-N-methyl-2-[4-(trifluoromethyl)phenyl]ethanamine
SMILESCNC(Cc1ccc(C(F)(F)F)cc1)c1ccc(Br)o1
InChIInChI=1S/C14H13BrF3NO/c1-19-11(12-6-7-13(15)20-12)8-9-2-4-10(5-3-9)14(16,17)18/h2-7,11,19H,8H2,1H3
InChIKeyRMOLAHQCUZSZEX-UHFFFAOYSA-N
XLogP4.56
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.16
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-bromofuran-2-yl)-2-(4-bromophenyl)-N-methylethanamine
CID 61066395
2-bromo-5-[1-bromo-2-[4-(trifluoromethyl)phenyl]ethyl]furan
CID 63530053
1-(5-bromofuran-2-yl)-2-(3-chloro-4-fluorophenyl)-N-methylethanamine
CID 103042976
1-(5-bromofuran-2-yl)-2-(4-bromophenyl)-N-ethylethanamine
CID 61064969
N-methyl-1-thiophen-3-yl-2-[4-(trifluoromethyl)phenyl]ethanamine
CID 62114391
1-(5-fluoro-3-pyridinyl)-N-methyl-2-[4-(trifluoromethyl)phenyl]ethanamine
CID 115804514
1-(5-bromofuran-2-yl)-2-(4-fluoro-2-methylphenyl)-N-methylethanamine
CID 105051069
1-(5-bromofuran-2-yl)-2-(5-chlorothiophen-2-yl)-N-methylethanamine
CID 115841556
1-(5-bromofuran-2-yl)-N-methyl-3-phenylpropan-1-amine
CID 115793920
5,5,5-trifluoro-N-methyl-1-[4-(trifluoromethyl)phenyl]pentan-2-amine
CID 79953449
[1-(2,5-dimethylfuran-3-yl)-2-[4-(trifluoromethyl)phenyl]ethyl]hydrazine
CID 105299682
2-(3-bromo-4-fluorophenyl)-1-(5-bromofuran-2-yl)-N-ethylethanamine
CID 115818887

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromofuran-2-yl)-N-methyl-2-[4-(trifluoromethyl)phenyl]ethanamine?
The IUPAC name of 1-(5-bromofuran-2-yl)-N-methyl-2-[4-(trifluoromethyl)phenyl]ethanamine (CID 62114221) is 1-(5-bromofuran-2-yl)-N-methyl-2-[4-(trifluoromethyl)phenyl]ethanamine.
What is the SMILES notation for 1-(5-bromofuran-2-yl)-N-methyl-2-[4-(trifluoromethyl)phenyl]ethanamine?
The canonical SMILES for 1-(5-bromofuran-2-yl)-N-methyl-2-[4-(trifluoromethyl)phenyl]ethanamine is CNC(Cc1ccc(C(F)(F)F)cc1)c1ccc(Br)o1.
What is the InChIKey of 1-(5-bromofuran-2-yl)-N-methyl-2-[4-(trifluoromethyl)phenyl]ethanamine?
The InChIKey is RMOLAHQCUZSZEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrF3NO/c1-19-11(12-6-7-13(15)20-12)8-9-2-4-10(5-3-9)14(16,17)18/h2-7,11,19H,8H2,1H3.
What are the key properties of 1-(5-bromofuran-2-yl)-N-methyl-2-[4-(trifluoromethyl)phenyl]ethanamine?
1-(5-bromofuran-2-yl)-N-methyl-2-[4-(trifluoromethyl)phenyl]ethanamine has a molecular weight of 348.16 g/mol, XLogP of 4.56, 4 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)-N-methyl-2-[4-(trifluoromethyl)phenyl]ethanamine is sourced from PubChem (CID 62114221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).