N-[(5-ethylfuran-2-yl)-[3-(trifluoromethyl)phenyl]methyl]ethanamine

C16H18F3NO — CID 62346589

IUPACN-[(5-ethylfuran-2-yl)-[3-(trifluoromethyl)phenyl]methyl]ethanamine
SMILESCCNC(c1cccc(C(F)(F)F)c1)c1ccc(CC)o1
InChIInChI=1S/C16H18F3NO/c1-3-13-8-9-14(21-13)15(20-4-2)11-6-5-7-12(10-11)16(17,18)19/h5-10,15,20H,3-4H2,1-2H3
InChIKeyWEAXBPRRWUFSIV-UHFFFAOYSA-N
MW297.32 g/mol
LogP4.56
Rot. Bonds5

About N-[(5-ethylfuran-2-yl)-[3-(trifluoromethyl)phenyl]methyl]ethanamine

N-[(5-ethylfuran-2-yl)-[3-(trifluoromethyl)phenyl]methyl]ethanamine (PubChem CID 62346589) has the molecular formula C16H18F3NO and a molecular weight of 297.32 g/mol. Its IUPAC name is N-[(5-ethylfuran-2-yl)-[3-(trifluoromethyl)phenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[(5-ethylfuran-2-yl)-[3-(trifluoromethyl)phenyl]methyl]ethanamine
PubChem CID62346589
Molecular FormulaC16H18F3NO
Molecular Weight297.32 g/mol
Exact Mass297.13
IUPAC NameN-[(5-ethylfuran-2-yl)-[3-(trifluoromethyl)phenyl]methyl]ethanamine
SMILESCCNC(c1cccc(C(F)(F)F)c1)c1ccc(CC)o1
InChIInChI=1S/C16H18F3NO/c1-3-13-8-9-14(21-13)15(20-4-2)11-6-5-7-12(10-11)16(17,18)19/h5-10,15,20H,3-4H2,1-2H3
InChIKeyWEAXBPRRWUFSIV-UHFFFAOYSA-N
XLogP4.56
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.32
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[pyrimidin-2-yl-[3-(trifluoromethyl)phenyl]methyl]ethanamine
CID 62789684
N-[(5-ethylfuran-2-yl)-(4-methylphenyl)methyl]ethanamine
CID 55061507
N-[(5-methylthiophen-2-yl)-[3-(trifluoromethyl)phenyl]methyl]ethanamine
CID 43488227
1-(5-ethylfuran-2-yl)-2-[3-(trifluoromethyl)phenyl]ethanol
CID 65149824
N-[(4-chlorophenyl)-(5-ethylfuran-2-yl)methyl]ethanamine
CID 62346781
N-[1,3-dihydro-2-benzofuran-5-yl-(5-ethylfuran-2-yl)methyl]ethanamine
CID 63731632
N-[2,3-dihydro-1,4-benzodioxin-6-yl-(5-ethylfuran-2-yl)methyl]ethanamine
CID 62346595
N-[(4,5-dimethylfuran-2-yl)-(5-ethylfuran-2-yl)methyl]ethanamine
CID 114249078
N-[(3-chloro-2-pyridinyl)-[3-(trifluoromethyl)phenyl]methyl]ethanamine
CID 103444525
N,3-diethyl-1-[3-(trifluoromethyl)phenyl]pentan-1-amine
CID 82920537
N-[(3-chloro-2-fluorophenyl)-(5-ethylfuran-2-yl)methyl]ethanamine
CID 81265394
[(4-ethylphenyl)-[3-(trifluoromethyl)phenyl]methyl]hydrazine
CID 105193954

Frequently Asked Questions

What is the IUPAC name of N-[(5-ethylfuran-2-yl)-[3-(trifluoromethyl)phenyl]methyl]ethanamine?
The IUPAC name of N-[(5-ethylfuran-2-yl)-[3-(trifluoromethyl)phenyl]methyl]ethanamine (CID 62346589) is N-[(5-ethylfuran-2-yl)-[3-(trifluoromethyl)phenyl]methyl]ethanamine.
What is the SMILES notation for N-[(5-ethylfuran-2-yl)-[3-(trifluoromethyl)phenyl]methyl]ethanamine?
The canonical SMILES for N-[(5-ethylfuran-2-yl)-[3-(trifluoromethyl)phenyl]methyl]ethanamine is CCNC(c1cccc(C(F)(F)F)c1)c1ccc(CC)o1.
What is the InChIKey of N-[(5-ethylfuran-2-yl)-[3-(trifluoromethyl)phenyl]methyl]ethanamine?
The InChIKey is WEAXBPRRWUFSIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F3NO/c1-3-13-8-9-14(21-13)15(20-4-2)11-6-5-7-12(10-11)16(17,18)19/h5-10,15,20H,3-4H2,1-2H3.
What are the key properties of N-[(5-ethylfuran-2-yl)-[3-(trifluoromethyl)phenyl]methyl]ethanamine?
N-[(5-ethylfuran-2-yl)-[3-(trifluoromethyl)phenyl]methyl]ethanamine has a molecular weight of 297.32 g/mol, XLogP of 4.56, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-ethylfuran-2-yl)-[3-(trifluoromethyl)phenyl]methyl]ethanamine is sourced from PubChem (CID 62346589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).