3-(furan-2-yl)-N-methyl-1-[2-(trifluoromethoxy)phenyl]propan-1-amine

C15H16F3NO2 — CID 105141555

IUPAC3-(furan-2-yl)-N-methyl-1-[2-(trifluoromethoxy)phenyl]propan-1-amine
SMILESCNC(CCc1ccco1)c1ccccc1OC(F)(F)F
InChIInChI=1S/C15H16F3NO2/c1-19-13(9-8-11-5-4-10-20-11)12-6-2-3-7-14(12)21-15(16,17)18/h2-7,10,13,19H,8-9H2,1H3
InChIKeyYOWDPPASXSYDEZ-UHFFFAOYSA-N
MW299.29 g/mol
LogP4.07
Rot. Bonds6

About 3-(furan-2-yl)-N-methyl-1-[2-(trifluoromethoxy)phenyl]propan-1-amine

3-(furan-2-yl)-N-methyl-1-[2-(trifluoromethoxy)phenyl]propan-1-amine (PubChem CID 105141555) has the molecular formula C15H16F3NO2 and a molecular weight of 299.29 g/mol. Its IUPAC name is 3-(furan-2-yl)-N-methyl-1-[2-(trifluoromethoxy)phenyl]propan-1-amine.

Molecular Properties

Compound Name3-(furan-2-yl)-N-methyl-1-[2-(trifluoromethoxy)phenyl]propan-1-amine
PubChem CID105141555
Molecular FormulaC15H16F3NO2
Molecular Weight299.29 g/mol
Exact Mass299.11
IUPAC Name3-(furan-2-yl)-N-methyl-1-[2-(trifluoromethoxy)phenyl]propan-1-amine
SMILESCNC(CCc1ccco1)c1ccccc1OC(F)(F)F
InChIInChI=1S/C15H16F3NO2/c1-19-13(9-8-11-5-4-10-20-11)12-6-2-3-7-14(12)21-15(16,17)18/h2-7,10,13,19H,8-9H2,1H3
InChIKeyYOWDPPASXSYDEZ-UHFFFAOYSA-N
XLogP4.07
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.29
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-3-methylsulfanyl-1-[2-(trifluoromethoxy)phenyl]propan-1-amine
CID 105141589
3-(furan-2-yl)-1-(3-methoxy-2-pyridinyl)-N-methylpropan-1-amine
CID 114054705
N-methyl-2-thiophen-2-yl-1-[2-(trifluoromethoxy)phenyl]ethanamine
CID 62790932
1-(2,5-dimethylphenyl)-3-(furan-2-yl)-N-methylpropan-1-amine
CID 105120302
N-ethyl-1-(2-fluorophenyl)-3-(furan-2-yl)propan-1-amine
CID 105119317
3-(furan-2-yl)-1-isoquinolin-4-yl-N-methylpropan-1-amine
CID 105147383
1-(3-bromofuran-2-yl)-3-(furan-2-yl)-N-methylpropan-1-amine
CID 105150536
2-butan-2-ylsulfanyl-N-methyl-1-[2-(trifluoromethoxy)phenyl]ethanamine
CID 65136492
2,2-dimethoxy-N-methyl-1-[2-(trifluoromethoxy)phenyl]ethanamine
CID 79492226
3-(furan-2-yl)-1-isoquinolin-5-yl-N-methylpropan-1-amine
CID 105143514
furan-2-yl-[2-(trifluoromethoxy)phenyl]methanol
CID 62791171
2-methoxy-N-methyl-1-[2-(trifluoromethoxy)phenyl]butan-1-amine
CID 116715413

Frequently Asked Questions

What is the IUPAC name of 3-(furan-2-yl)-N-methyl-1-[2-(trifluoromethoxy)phenyl]propan-1-amine?
The IUPAC name of 3-(furan-2-yl)-N-methyl-1-[2-(trifluoromethoxy)phenyl]propan-1-amine (CID 105141555) is 3-(furan-2-yl)-N-methyl-1-[2-(trifluoromethoxy)phenyl]propan-1-amine.
What is the SMILES notation for 3-(furan-2-yl)-N-methyl-1-[2-(trifluoromethoxy)phenyl]propan-1-amine?
The canonical SMILES for 3-(furan-2-yl)-N-methyl-1-[2-(trifluoromethoxy)phenyl]propan-1-amine is CNC(CCc1ccco1)c1ccccc1OC(F)(F)F.
What is the InChIKey of 3-(furan-2-yl)-N-methyl-1-[2-(trifluoromethoxy)phenyl]propan-1-amine?
The InChIKey is YOWDPPASXSYDEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F3NO2/c1-19-13(9-8-11-5-4-10-20-11)12-6-2-3-7-14(12)21-15(16,17)18/h2-7,10,13,19H,8-9H2,1H3.
What are the key properties of 3-(furan-2-yl)-N-methyl-1-[2-(trifluoromethoxy)phenyl]propan-1-amine?
3-(furan-2-yl)-N-methyl-1-[2-(trifluoromethoxy)phenyl]propan-1-amine has a molecular weight of 299.29 g/mol, XLogP of 4.07, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-2-yl)-N-methyl-1-[2-(trifluoromethoxy)phenyl]propan-1-amine is sourced from PubChem (CID 105141555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).