N-[(3-methylfuran-2-yl)-[3-(trifluoromethoxy)phenyl]methyl]ethanamine

C15H16F3NO2 — CID 104805493

IUPACN-[(3-methylfuran-2-yl)-[3-(trifluoromethoxy)phenyl]methyl]ethanamine
SMILESCCNC(c1cccc(OC(F)(F)F)c1)c1occc1C
InChIInChI=1S/C15H16F3NO2/c1-3-19-13(14-10(2)7-8-20-14)11-5-4-6-12(9-11)21-15(16,17)18/h4-9,13,19H,3H2,1-2H3
InChIKeyIEZNTCNGJUDQLF-UHFFFAOYSA-N
MW299.29 g/mol
LogP4.19
Rot. Bonds5

About N-[(3-methylfuran-2-yl)-[3-(trifluoromethoxy)phenyl]methyl]ethanamine

N-[(3-methylfuran-2-yl)-[3-(trifluoromethoxy)phenyl]methyl]ethanamine (PubChem CID 104805493) has the molecular formula C15H16F3NO2 and a molecular weight of 299.29 g/mol. Its IUPAC name is N-[(3-methylfuran-2-yl)-[3-(trifluoromethoxy)phenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[(3-methylfuran-2-yl)-[3-(trifluoromethoxy)phenyl]methyl]ethanamine
PubChem CID104805493
Molecular FormulaC15H16F3NO2
Molecular Weight299.29 g/mol
Exact Mass299.11
IUPAC NameN-[(3-methylfuran-2-yl)-[3-(trifluoromethoxy)phenyl]methyl]ethanamine
SMILESCCNC(c1cccc(OC(F)(F)F)c1)c1occc1C
InChIInChI=1S/C15H16F3NO2/c1-3-19-13(14-10(2)7-8-20-14)11-5-4-6-12(9-11)21-15(16,17)18/h4-9,13,19H,3H2,1-2H3
InChIKeyIEZNTCNGJUDQLF-UHFFFAOYSA-N
XLogP4.19
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.29
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(5-bromofuran-2-yl)-[3-(trifluoromethoxy)phenyl]methyl]ethanamine
CID 115854117
N-[(4-methylthiadiazol-5-yl)-[3-(trifluoromethoxy)phenyl]methyl]ethanamine
CID 105145860
N-[pyrazin-2-yl-[3-(trifluoromethoxy)phenyl]methyl]ethanamine
CID 62917910
1-(2-bromofuran-3-yl)-N-methyl-1-[3-(trifluoromethoxy)phenyl]methanamine
CID 106857562
N-[(3-chlorothiophen-2-yl)-[3-(trifluoromethoxy)phenyl]methyl]ethanamine
CID 115854136
N-ethyl-N',N'-dimethyl-1-[3-(trifluoromethoxy)phenyl]ethane-1,2-diamine
CID 79093108
N-ethyl-1-[3-(trifluoromethoxy)phenyl]hexan-1-amine
CID 115854010
N-ethyl-1-[3-(trifluoromethoxy)phenyl]heptan-1-amine
CID 115854011
N-[thiophen-3-yl-[3-(trifluoromethoxy)phenyl]methyl]propan-1-amine
CID 62916199
N-[2,2-difluoro-1-[3-(trifluoromethoxy)phenyl]ethyl]propan-1-amine
CID 103516612
3-(ethylamino)-3-[3-(trifluoromethoxy)phenyl]propanamide
CID 107105283
N-[(2-methylcyclopropyl)-[3-(trifluoromethoxy)phenyl]methyl]ethanamine
CID 65419758

Frequently Asked Questions

What is the IUPAC name of N-[(3-methylfuran-2-yl)-[3-(trifluoromethoxy)phenyl]methyl]ethanamine?
The IUPAC name of N-[(3-methylfuran-2-yl)-[3-(trifluoromethoxy)phenyl]methyl]ethanamine (CID 104805493) is N-[(3-methylfuran-2-yl)-[3-(trifluoromethoxy)phenyl]methyl]ethanamine.
What is the SMILES notation for N-[(3-methylfuran-2-yl)-[3-(trifluoromethoxy)phenyl]methyl]ethanamine?
The canonical SMILES for N-[(3-methylfuran-2-yl)-[3-(trifluoromethoxy)phenyl]methyl]ethanamine is CCNC(c1cccc(OC(F)(F)F)c1)c1occc1C.
What is the InChIKey of N-[(3-methylfuran-2-yl)-[3-(trifluoromethoxy)phenyl]methyl]ethanamine?
The InChIKey is IEZNTCNGJUDQLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F3NO2/c1-3-19-13(14-10(2)7-8-20-14)11-5-4-6-12(9-11)21-15(16,17)18/h4-9,13,19H,3H2,1-2H3.
What are the key properties of N-[(3-methylfuran-2-yl)-[3-(trifluoromethoxy)phenyl]methyl]ethanamine?
N-[(3-methylfuran-2-yl)-[3-(trifluoromethoxy)phenyl]methyl]ethanamine has a molecular weight of 299.29 g/mol, XLogP of 4.19, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methylfuran-2-yl)-[3-(trifluoromethoxy)phenyl]methyl]ethanamine is sourced from PubChem (CID 104805493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).