N-[(5-methylfuran-2-yl)-[4-(trifluoromethoxy)phenyl]methyl]ethanamine

C15H16F3NO2 — CID 116628607

IUPACN-[(5-methylfuran-2-yl)-[4-(trifluoromethoxy)phenyl]methyl]ethanamine
SMILESCCNC(c1ccc(OC(F)(F)F)cc1)c1ccc(C)o1
InChIInChI=1S/C15H16F3NO2/c1-3-19-14(13-9-4-10(2)20-13)11-5-7-12(8-6-11)21-15(16,17)18/h4-9,14,19H,3H2,1-2H3
InChIKeyZHBFXZMQXTZZQV-UHFFFAOYSA-N
MW299.29 g/mol
LogP4.19
Rot. Bonds5

About N-[(5-methylfuran-2-yl)-[4-(trifluoromethoxy)phenyl]methyl]ethanamine

N-[(5-methylfuran-2-yl)-[4-(trifluoromethoxy)phenyl]methyl]ethanamine (PubChem CID 116628607) has the molecular formula C15H16F3NO2 and a molecular weight of 299.29 g/mol. Its IUPAC name is N-[(5-methylfuran-2-yl)-[4-(trifluoromethoxy)phenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[(5-methylfuran-2-yl)-[4-(trifluoromethoxy)phenyl]methyl]ethanamine
PubChem CID116628607
Molecular FormulaC15H16F3NO2
Molecular Weight299.29 g/mol
Exact Mass299.11
IUPAC NameN-[(5-methylfuran-2-yl)-[4-(trifluoromethoxy)phenyl]methyl]ethanamine
SMILESCCNC(c1ccc(OC(F)(F)F)cc1)c1ccc(C)o1
InChIInChI=1S/C15H16F3NO2/c1-3-19-14(13-9-4-10(2)20-13)11-5-7-12(8-6-11)21-15(16,17)18/h4-9,14,19H,3H2,1-2H3
InChIKeyZHBFXZMQXTZZQV-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-[[4-(2-methoxyethyl)phenyl]-(5-methylfuran-2-yl)methyl]ethanamine
CID 43489727
N-[[4-(2-methylbutan-2-yl)phenyl]-(5-methylfuran-2-yl)methyl]ethanamine
CID 66260331
N-ethyl-1-[4-(trifluoromethoxy)phenyl]ethanamine
CID 24697408
N-[(4-fluoro-3,5-dimethylphenyl)-(5-methylfuran-2-yl)methyl]ethanamine
CID 65299395
N-ethyl-1-[4-(trifluoromethoxy)phenyl]propan-1-amine
CID 114980102
N-[(5-bromofuran-2-yl)-[3-(trifluoromethoxy)phenyl]methyl]ethanamine
CID 115854117
N-[(5-methylfuran-2-yl)-(5-methylfuran-3-yl)methyl]ethanamine
CID 114820177
N-[(5-methylfuran-2-yl)-(5-methylthiophen-3-yl)methyl]ethanamine
CID 104991414
N-ethyl-2-(furan-2-yl)-1-[4-(trifluoromethoxy)phenyl]ethanamine
CID 105029616
1-ethyl-2-[2-hydroxy-2-[4-(trifluoromethoxy)phenyl]ethyl]-3-[1-(5-methylfuran-2-yl)ethyl]guanidine
CID 111366493
N-ethyl-1-[4-(trifluoromethoxy)phenyl]but-3-en-1-amine
CID 115815205
[(1R)-1-[4-(trifluoromethoxy)phenyl]propyl]azanide
CID 162105991

Frequently Asked Questions

What is the IUPAC name of N-[(5-methylfuran-2-yl)-[4-(trifluoromethoxy)phenyl]methyl]ethanamine?
The IUPAC name of N-[(5-methylfuran-2-yl)-[4-(trifluoromethoxy)phenyl]methyl]ethanamine (CID 116628607) is N-[(5-methylfuran-2-yl)-[4-(trifluoromethoxy)phenyl]methyl]ethanamine.
What is the SMILES notation for N-[(5-methylfuran-2-yl)-[4-(trifluoromethoxy)phenyl]methyl]ethanamine?
The canonical SMILES for N-[(5-methylfuran-2-yl)-[4-(trifluoromethoxy)phenyl]methyl]ethanamine is CCNC(c1ccc(OC(F)(F)F)cc1)c1ccc(C)o1.
What is the InChIKey of N-[(5-methylfuran-2-yl)-[4-(trifluoromethoxy)phenyl]methyl]ethanamine?
The InChIKey is ZHBFXZMQXTZZQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F3NO2/c1-3-19-14(13-9-4-10(2)20-13)11-5-7-12(8-6-11)21-15(16,17)18/h4-9,14,19H,3H2,1-2H3.
What are the key properties of N-[(5-methylfuran-2-yl)-[4-(trifluoromethoxy)phenyl]methyl]ethanamine?
N-[(5-methylfuran-2-yl)-[4-(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-[(5-methylfuran-2-yl)-[4-(trifluoromethoxy)phenyl]methyl]ethanamine is sourced from PubChem (CID 116628607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).