N-ethyl-1-[5-fluoro-2-(trifluoromethyl)phenyl]-2-(furan-3-yl)ethanamine

C15H15F4NO — CID 83178416

IUPACN-ethyl-1-[5-fluoro-2-(trifluoromethyl)phenyl]-2-(furan-3-yl)ethanamine
SMILESCCNC(Cc1ccoc1)c1cc(F)ccc1C(F)(F)F
InChIInChI=1S/C15H15F4NO/c1-2-20-14(7-10-5-6-21-9-10)12-8-11(16)3-4-13(12)15(17,18)19/h3-6,8-9,14,20H,2,7H2,1H3
InChIKeyRRRZGKJSPJESDB-UHFFFAOYSA-N
MW301.28 g/mol
LogP4.33
Rot. Bonds5

About N-ethyl-1-[5-fluoro-2-(trifluoromethyl)phenyl]-2-(furan-3-yl)ethanamine

N-ethyl-1-[5-fluoro-2-(trifluoromethyl)phenyl]-2-(furan-3-yl)ethanamine (PubChem CID 83178416) has the molecular formula C15H15F4NO and a molecular weight of 301.28 g/mol. Its IUPAC name is N-ethyl-1-[5-fluoro-2-(trifluoromethyl)phenyl]-2-(furan-3-yl)ethanamine.

Molecular Properties

Compound NameN-ethyl-1-[5-fluoro-2-(trifluoromethyl)phenyl]-2-(furan-3-yl)ethanamine
PubChem CID83178416
Molecular FormulaC15H15F4NO
Molecular Weight301.28 g/mol
Exact Mass301.11
IUPAC NameN-ethyl-1-[5-fluoro-2-(trifluoromethyl)phenyl]-2-(furan-3-yl)ethanamine
SMILESCCNC(Cc1ccoc1)c1cc(F)ccc1C(F)(F)F
InChIInChI=1S/C15H15F4NO/c1-2-20-14(7-10-5-6-21-9-10)12-8-11(16)3-4-13(12)15(17,18)19/h3-6,8-9,14,20H,2,7H2,1H3
InChIKeyRRRZGKJSPJESDB-UHFFFAOYSA-N
XLogP4.33
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.28
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[5-fluoro-2-(trifluoromethyl)phenyl]-2-(furan-3-yl)ethanol
CID 83175379
N-ethyl-1-[5-fluoro-2-(trifluoromethyl)phenyl]-2-(furan-2-yl)ethanamine
CID 83178417
N-ethyl-1-(4-fluorophenyl)-2-(furan-3-yl)ethanamine
CID 83174702
N-ethyl-1-(2-fluorophenyl)-2-(furan-3-yl)ethanamine
CID 83175625
N-ethyl-1-(2-fluoro-4-methylphenyl)-2-(furan-3-yl)ethanamine
CID 105030020
1-(2,3-difluorophenyl)-N-ethyl-2-(furan-3-yl)ethanamine
CID 105029849
N-ethyl-1-[5-fluoro-2-(trifluoromethyl)phenyl]-4-methylpent-4-en-1-amine
CID 114475641
N-ethyl-1-(3-fluoro-5-methylphenyl)-2-(furan-3-yl)ethanamine
CID 83182969
1-(2,6-difluorophenyl)-N-ethyl-2-(furan-3-yl)ethanamine
CID 83182160
N-ethyl-1-(4-fluoro-3-methylphenyl)-2-(furan-3-yl)ethanamine
CID 83174718
1-(2,5-dibromothiophen-3-yl)-N-ethyl-2-(furan-3-yl)ethanamine
CID 107968942
N-ethyl-2-(furan-3-yl)-1-[5-(trifluoromethyl)-2-pyridinyl]ethanamine
CID 105177738

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-[5-fluoro-2-(trifluoromethyl)phenyl]-2-(furan-3-yl)ethanamine?
The IUPAC name of N-ethyl-1-[5-fluoro-2-(trifluoromethyl)phenyl]-2-(furan-3-yl)ethanamine (CID 83178416) is N-ethyl-1-[5-fluoro-2-(trifluoromethyl)phenyl]-2-(furan-3-yl)ethanamine.
What is the SMILES notation for N-ethyl-1-[5-fluoro-2-(trifluoromethyl)phenyl]-2-(furan-3-yl)ethanamine?
The canonical SMILES for N-ethyl-1-[5-fluoro-2-(trifluoromethyl)phenyl]-2-(furan-3-yl)ethanamine is CCNC(Cc1ccoc1)c1cc(F)ccc1C(F)(F)F.
What is the InChIKey of N-ethyl-1-[5-fluoro-2-(trifluoromethyl)phenyl]-2-(furan-3-yl)ethanamine?
The InChIKey is RRRZGKJSPJESDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F4NO/c1-2-20-14(7-10-5-6-21-9-10)12-8-11(16)3-4-13(12)15(17,18)19/h3-6,8-9,14,20H,2,7H2,1H3.
What are the key properties of N-ethyl-1-[5-fluoro-2-(trifluoromethyl)phenyl]-2-(furan-3-yl)ethanamine?
N-ethyl-1-[5-fluoro-2-(trifluoromethyl)phenyl]-2-(furan-3-yl)ethanamine has a molecular weight of 301.28 g/mol, XLogP of 4.33, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-[5-fluoro-2-(trifluoromethyl)phenyl]-2-(furan-3-yl)ethanamine is sourced from PubChem (CID 83178416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).