1-[5-[3-bromo-5-(trifluoromethyl)phenyl]furan-2-yl]-N-ethylethanamine

C15H15BrF3NO — CID 65489059

IUPAC1-[5-[3-bromo-5-(trifluoromethyl)phenyl]furan-2-yl]-N-ethylethanamine
SMILESCCNC(C)c1ccc(-c2cc(Br)cc(C(F)(F)F)c2)o1
InChIInChI=1S/C15H15BrF3NO/c1-3-20-9(2)13-4-5-14(21-13)10-6-11(15(17,18)19)8-12(16)7-10/h4-9,20H,3H2,1-2H3
InChIKeyNYFRCOBLWURBQA-UHFFFAOYSA-N
MW362.19 g/mol
LogP5.40
Rot. Bonds4

About 1-[5-[3-bromo-5-(trifluoromethyl)phenyl]furan-2-yl]-N-ethylethanamine

1-[5-[3-bromo-5-(trifluoromethyl)phenyl]furan-2-yl]-N-ethylethanamine (PubChem CID 65489059) has the molecular formula C15H15BrF3NO and a molecular weight of 362.19 g/mol. Its IUPAC name is 1-[5-[3-bromo-5-(trifluoromethyl)phenyl]furan-2-yl]-N-ethylethanamine.

Molecular Properties

Compound Name1-[5-[3-bromo-5-(trifluoromethyl)phenyl]furan-2-yl]-N-ethylethanamine
PubChem CID65489059
Molecular FormulaC15H15BrF3NO
Molecular Weight362.19 g/mol
Exact Mass361.03
IUPAC Name1-[5-[3-bromo-5-(trifluoromethyl)phenyl]furan-2-yl]-N-ethylethanamine
SMILESCCNC(C)c1ccc(-c2cc(Br)cc(C(F)(F)F)c2)o1
InChIInChI=1S/C15H15BrF3NO/c1-3-20-9(2)13-4-5-14(21-13)10-6-11(15(17,18)19)8-12(16)7-10/h4-9,20H,3H2,1-2H3
InChIKeyNYFRCOBLWURBQA-UHFFFAOYSA-N
XLogP5.40
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.19
LogP ≤ 55.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-1-[5-[4-methyl-3-(trifluoromethyl)phenyl]furan-2-yl]ethanamine
CID 63399021
1-[5-(4-bromo-3,5-dimethylphenyl)furan-2-yl]-N-ethylethanamine
CID 107577088
N-[1-[5-(3-bromo-5-methylphenyl)furan-2-yl]ethyl]propan-1-amine
CID 107577114
1-[5-(3,5-dichloro-4-fluorophenyl)furan-2-yl]-N-ethylethanamine
CID 107577103
N-[1-[5-[4-(trifluoromethyl)phenyl]furan-2-yl]ethyl]propan-1-amine
CID 63398755
N-ethyl-1-[5-(4-fluoro-3-methylphenyl)furan-2-yl]ethanamine
CID 62812039
1-[5-(2-bromophenyl)furan-2-yl]-N-ethylethanamine
CID 62500358
1-[5-[4-bromo-3-(trifluoromethyl)phenyl]furan-2-yl]-N-methylethanamine
CID 64855703
1-[5-(3-bromo-5-methylphenyl)furan-2-yl]ethanol
CID 107577593
N-ethyl-1-[5-(2,3,4-trifluorophenyl)furan-2-yl]ethanamine
CID 62499724
1-[5-(2,4-dimethylphenyl)furan-2-yl]-N-ethylethanamine
CID 55083630
N-[1-(5-bromofuran-2-yl)ethyl]-2,2,2-trifluoroethanamine
CID 104651972

Frequently Asked Questions

What is the IUPAC name of 1-[5-[3-bromo-5-(trifluoromethyl)phenyl]furan-2-yl]-N-ethylethanamine?
The IUPAC name of 1-[5-[3-bromo-5-(trifluoromethyl)phenyl]furan-2-yl]-N-ethylethanamine (CID 65489059) is 1-[5-[3-bromo-5-(trifluoromethyl)phenyl]furan-2-yl]-N-ethylethanamine.
What is the SMILES notation for 1-[5-[3-bromo-5-(trifluoromethyl)phenyl]furan-2-yl]-N-ethylethanamine?
The canonical SMILES for 1-[5-[3-bromo-5-(trifluoromethyl)phenyl]furan-2-yl]-N-ethylethanamine is CCNC(C)c1ccc(-c2cc(Br)cc(C(F)(F)F)c2)o1.
What is the InChIKey of 1-[5-[3-bromo-5-(trifluoromethyl)phenyl]furan-2-yl]-N-ethylethanamine?
The InChIKey is NYFRCOBLWURBQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrF3NO/c1-3-20-9(2)13-4-5-14(21-13)10-6-11(15(17,18)19)8-12(16)7-10/h4-9,20H,3H2,1-2H3.
What are the key properties of 1-[5-[3-bromo-5-(trifluoromethyl)phenyl]furan-2-yl]-N-ethylethanamine?
1-[5-[3-bromo-5-(trifluoromethyl)phenyl]furan-2-yl]-N-ethylethanamine has a molecular weight of 362.19 g/mol, XLogP of 5.40, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[3-bromo-5-(trifluoromethyl)phenyl]furan-2-yl]-N-ethylethanamine is sourced from PubChem (CID 65489059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).