1-(2,3-dihydrofuran-5-yl)-N-ethyl-2-[3-(trifluoromethyl)phenyl]ethanamine

C15H18F3NO — CID 102651729

IUPAC1-(2,3-dihydrofuran-5-yl)-N-ethyl-2-[3-(trifluoromethyl)phenyl]ethanamine
SMILESCCNC(Cc1cccc(C(F)(F)F)c1)C1=CCCO1
InChIInChI=1S/C15H18F3NO/c1-2-19-13(14-7-4-8-20-14)10-11-5-3-6-12(9-11)15(16,17)18/h3,5-7,9,13,19H,2,4,8,10H2,1H3
InChIKeyURSPSQBMQFSGML-UHFFFAOYSA-N
MW285.31 g/mol
LogP3.53
Rot. Bonds5

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

1-(2,3-dihydrofuran-5-yl)-N-ethyl-2-[3-(trifluoromethyl)phenyl]ethanamine (PubChem CID 102651729) has the molecular formula C15H18F3NO and a molecular weight of 285.31 g/mol. Its IUPAC name is 1-(2,3-dihydrofuran-5-yl)-N-ethyl-2-[3-(trifluoromethyl)phenyl]ethanamine.

Molecular Properties

Compound Name1-(2,3-dihydrofuran-5-yl)-N-ethyl-2-[3-(trifluoromethyl)phenyl]ethanamine
PubChem CID102651729
Molecular FormulaC15H18F3NO
Molecular Weight285.31 g/mol
Exact Mass285.13
IUPAC Name1-(2,3-dihydrofuran-5-yl)-N-ethyl-2-[3-(trifluoromethyl)phenyl]ethanamine
SMILESCCNC(Cc1cccc(C(F)(F)F)c1)C1=CCCO1
InChIInChI=1S/C15H18F3NO/c1-2-19-13(14-7-4-8-20-14)10-11-5-3-6-12(9-11)15(16,17)18/h3,5-7,9,13,19H,2,4,8,10H2,1H3
InChIKeyURSPSQBMQFSGML-UHFFFAOYSA-N
XLogP3.53
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.31
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,3-dihydrofuran-5-yl)-N-ethyl-2-[4-(trifluoromethyl)phenyl]ethanamine
CID 102653265
N-ethyl-1-pyridin-4-yl-2-[3-(trifluoromethyl)phenyl]ethanamine
CID 62602438
2-(4-bromophenyl)-1-(2,3-dihydrofuran-5-yl)-N-ethylethanamine
CID 102651241
1-(2,3-dihydrofuran-5-yl)-N-ethyl-3-(3-methylphenyl)propan-1-amine
CID 102653664
N-ethyl-1-(1-methylpyrazol-4-yl)-2-[3-(trifluoromethyl)phenyl]ethanamine
CID 65195617
N-ethyl-3-methyl-1-[3-(trifluoromethyl)phenyl]butan-2-amine
CID 62600569
N-ethyl-1-(1H-1,2,4-triazol-5-yl)-2-[3-(trifluoromethyl)phenyl]ethanamine
CID 65360501
N-[[2-bromo-5-(trifluoromethyl)phenyl]-(2,3-dihydrofuran-5-yl)methyl]ethanamine
CID 102653732
N-ethyl-1-propan-2-ylsulfanyl-3-[3-(trifluoromethyl)phenyl]propan-2-amine
CID 65131790
N-[1-(furan-2-yl)-2-[3-(trifluoromethyl)phenyl]ethyl]propan-1-amine
CID 62698331
N-ethyl-1-methoxy-3-[3-(trifluoromethyl)phenyl]propan-2-amine
CID 62603541
1-(furan-2-yl)-N-methyl-2-[3-(trifluoromethyl)phenyl]ethanamine
CID 62717333

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydrofuran-5-yl)-N-ethyl-2-[3-(trifluoromethyl)phenyl]ethanamine?
The IUPAC name of 1-(2,3-dihydrofuran-5-yl)-N-ethyl-2-[3-(trifluoromethyl)phenyl]ethanamine (CID 102651729) is 1-(2,3-dihydrofuran-5-yl)-N-ethyl-2-[3-(trifluoromethyl)phenyl]ethanamine.
What is the SMILES notation for 1-(2,3-dihydrofuran-5-yl)-N-ethyl-2-[3-(trifluoromethyl)phenyl]ethanamine?
The canonical SMILES for 1-(2,3-dihydrofuran-5-yl)-N-ethyl-2-[3-(trifluoromethyl)phenyl]ethanamine is CCNC(Cc1cccc(C(F)(F)F)c1)C1=CCCO1.
What is the InChIKey of 1-(2,3-dihydrofuran-5-yl)-N-ethyl-2-[3-(trifluoromethyl)phenyl]ethanamine?
The InChIKey is URSPSQBMQFSGML-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F3NO/c1-2-19-13(14-7-4-8-20-14)10-11-5-3-6-12(9-11)15(16,17)18/h3,5-7,9,13,19H,2,4,8,10H2,1H3.
What are the key properties of 1-(2,3-dihydrofuran-5-yl)-N-ethyl-2-[3-(trifluoromethyl)phenyl]ethanamine?
1-(2,3-dihydrofuran-5-yl)-N-ethyl-2-[3-(trifluoromethyl)phenyl]ethanamine has a molecular weight of 285.31 g/mol, XLogP of 3.53, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydrofuran-5-yl)-N-ethyl-2-[3-(trifluoromethyl)phenyl]ethanamine is sourced from PubChem (CID 102651729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).