1-(2-bromofuran-3-yl)-2-[3-(trifluoromethyl)phenyl]ethanamine

C13H11BrF3NO — CID 106857204

IUPAC1-(2-bromofuran-3-yl)-2-[3-(trifluoromethyl)phenyl]ethanamine
SMILESNC(Cc1cccc(C(F)(F)F)c1)c1ccoc1Br
InChIInChI=1S/C13H11BrF3NO/c14-12-10(4-5-19-12)11(18)7-8-2-1-3-9(6-8)13(15,16)17/h1-6,11H,7,18H2
InChIKeyPEKHUWXVDCXBLN-UHFFFAOYSA-N
MW334.14 g/mol
LogP4.30
Rot. Bonds3

About 1-(2-bromofuran-3-yl)-2-[3-(trifluoromethyl)phenyl]ethanamine

1-(2-bromofuran-3-yl)-2-[3-(trifluoromethyl)phenyl]ethanamine (PubChem CID 106857204) has the molecular formula C13H11BrF3NO and a molecular weight of 334.14 g/mol. Its IUPAC name is 1-(2-bromofuran-3-yl)-2-[3-(trifluoromethyl)phenyl]ethanamine.

Molecular Properties

Compound Name1-(2-bromofuran-3-yl)-2-[3-(trifluoromethyl)phenyl]ethanamine
PubChem CID106857204
Molecular FormulaC13H11BrF3NO
Molecular Weight334.14 g/mol
Exact Mass333.00
IUPAC Name1-(2-bromofuran-3-yl)-2-[3-(trifluoromethyl)phenyl]ethanamine
SMILESNC(Cc1cccc(C(F)(F)F)c1)c1ccoc1Br
InChIInChI=1S/C13H11BrF3NO/c14-12-10(4-5-19-12)11(18)7-8-2-1-3-9(6-8)13(15,16)17/h1-6,11H,7,18H2
InChIKeyPEKHUWXVDCXBLN-UHFFFAOYSA-N
XLogP4.30
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.14
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-bromofuran-3-yl)-2-(3-chlorophenyl)ethanamine
CID 106854711
1-(2-bromofuran-3-yl)-2-naphthalen-2-ylethanamine
CID 106854636
1-(3-chloro-2-fluorophenyl)-2-[3-(trifluoromethyl)phenyl]ethanamine
CID 64713286
1-(3,5-difluorophenyl)-2-[3-(trifluoromethyl)phenyl]ethanamine
CID 62605037
(2S)-1,1,1-trifluoro-3-[3-(trifluoromethyl)phenyl]propan-2-amine
CID 96706913
1-(2-methyl-3-pyridinyl)-2-[3-(trifluoromethyl)phenyl]ethanamine
CID 105123435
2-phenyl-1-[3-(trifluoromethyl)phenyl]ethanamine
CID 43825128
3,3-dimethyl-1-[3-(trifluoromethyl)phenyl]butan-2-amine
CID 55095731
1-(2-bromopropyl)-3-(trifluoromethyl)benzene
CID 14025642
3-fluoro-4-[3-(trifluoromethyl)phenyl]butan-2-amine
CID 105495790
carbonic acid;(2R)-1-[3-(trifluoromethyl)phenyl]propan-2-amine
CID 118040884
2-bromo-3-[3-(trifluoromethyl)phenyl]propanamide
CID 104513003

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromofuran-3-yl)-2-[3-(trifluoromethyl)phenyl]ethanamine?
The IUPAC name of 1-(2-bromofuran-3-yl)-2-[3-(trifluoromethyl)phenyl]ethanamine (CID 106857204) is 1-(2-bromofuran-3-yl)-2-[3-(trifluoromethyl)phenyl]ethanamine.
What is the SMILES notation for 1-(2-bromofuran-3-yl)-2-[3-(trifluoromethyl)phenyl]ethanamine?
The canonical SMILES for 1-(2-bromofuran-3-yl)-2-[3-(trifluoromethyl)phenyl]ethanamine is NC(Cc1cccc(C(F)(F)F)c1)c1ccoc1Br.
What is the InChIKey of 1-(2-bromofuran-3-yl)-2-[3-(trifluoromethyl)phenyl]ethanamine?
The InChIKey is PEKHUWXVDCXBLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrF3NO/c14-12-10(4-5-19-12)11(18)7-8-2-1-3-9(6-8)13(15,16)17/h1-6,11H,7,18H2.
What are the key properties of 1-(2-bromofuran-3-yl)-2-[3-(trifluoromethyl)phenyl]ethanamine?
1-(2-bromofuran-3-yl)-2-[3-(trifluoromethyl)phenyl]ethanamine has a molecular weight of 334.14 g/mol, XLogP of 4.30, 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)-2-[3-(trifluoromethyl)phenyl]ethanamine is sourced from PubChem (CID 106857204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).