2-(5-methylfuran-2-yl)-3-[3-(trifluoromethyl)phenoxy]propan-1-amine

C15H16F3NO2 — CID 117240547

IUPAC2-(5-methylfuran-2-yl)-3-[3-(trifluoromethyl)phenoxy]propan-1-amine
SMILESCc1ccc(C(CN)COc2cccc(C(F)(F)F)c2)o1
InChIInChI=1S/C15H16F3NO2/c1-10-5-6-14(21-10)11(8-19)9-20-13-4-2-3-12(7-13)15(16,17)18/h2-7,11H,8-9,19H2,1H3
InChIKeyUDFSWHYXXTZJMR-UHFFFAOYSA-N
MW299.29 g/mol
LogP3.73
Rot. Bonds5

About 2-(5-methylfuran-2-yl)-3-[3-(trifluoromethyl)phenoxy]propan-1-amine

2-(5-methylfuran-2-yl)-3-[3-(trifluoromethyl)phenoxy]propan-1-amine (PubChem CID 117240547) has the molecular formula C15H16F3NO2 and a molecular weight of 299.29 g/mol. Its IUPAC name is 2-(5-methylfuran-2-yl)-3-[3-(trifluoromethyl)phenoxy]propan-1-amine.

Molecular Properties

Compound Name2-(5-methylfuran-2-yl)-3-[3-(trifluoromethyl)phenoxy]propan-1-amine
PubChem CID117240547
Molecular FormulaC15H16F3NO2
Molecular Weight299.29 g/mol
Exact Mass299.11
IUPAC Name2-(5-methylfuran-2-yl)-3-[3-(trifluoromethyl)phenoxy]propan-1-amine
SMILESCc1ccc(C(CN)COc2cccc(C(F)(F)F)c2)o1
InChIInChI=1S/C15H16F3NO2/c1-10-5-6-14(21-10)11(8-19)9-20-13-4-2-3-12(7-13)15(16,17)18/h2-7,11H,8-9,19H2,1H3
InChIKeyUDFSWHYXXTZJMR-UHFFFAOYSA-N
XLogP3.73
TPSA48.39 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 ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-fluorophenoxy)-2-[3-(trifluoromethyl)phenyl]propan-1-amine
CID 117243022
2-(5-bromofuran-2-yl)-3-(3-methylphenoxy)propan-1-amine
CID 117240560
1-[3-(trifluoromethyl)phenoxy]butan-2-amine
CID 11009853
1-(5-methylfuran-2-yl)-2-[4-(trifluoromethyl)phenoxy]ethanol
CID 117240158
4-methoxy-1-[3-(trifluoromethyl)phenoxy]butan-2-amine
CID 117236740
1-(4-methylphenyl)-2-[3-(trifluoromethyl)phenoxy]ethanol
CID 117244595
2-(3-methoxyphenoxy)-1-(5-methylfuran-2-yl)ethanamine
CID 16784253
1-phenyl-2-[3-(trifluoromethyl)phenoxy]ethanamine;hydrochloride
CID 164622114
4-methyl-1-[3-(trifluoromethyl)phenoxy]pentan-2-ol
CID 117241710
methyl 2-bromo-3-[3-(trifluoromethyl)phenoxy]propanoate
CID 81092547
1-(trifluoromethyl)-3-[3-[3-(trifluoromethyl)phenoxy]propoxy]benzene
CID 2766200
2-[[3-(trifluoromethyl)phenoxy]methyl]furan
CID 101055355

Frequently Asked Questions

What is the IUPAC name of 2-(5-methylfuran-2-yl)-3-[3-(trifluoromethyl)phenoxy]propan-1-amine?
The IUPAC name of 2-(5-methylfuran-2-yl)-3-[3-(trifluoromethyl)phenoxy]propan-1-amine (CID 117240547) is 2-(5-methylfuran-2-yl)-3-[3-(trifluoromethyl)phenoxy]propan-1-amine.
What is the SMILES notation for 2-(5-methylfuran-2-yl)-3-[3-(trifluoromethyl)phenoxy]propan-1-amine?
The canonical SMILES for 2-(5-methylfuran-2-yl)-3-[3-(trifluoromethyl)phenoxy]propan-1-amine is Cc1ccc(C(CN)COc2cccc(C(F)(F)F)c2)o1.
What is the InChIKey of 2-(5-methylfuran-2-yl)-3-[3-(trifluoromethyl)phenoxy]propan-1-amine?
The InChIKey is UDFSWHYXXTZJMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F3NO2/c1-10-5-6-14(21-10)11(8-19)9-20-13-4-2-3-12(7-13)15(16,17)18/h2-7,11H,8-9,19H2,1H3.
What are the key properties of 2-(5-methylfuran-2-yl)-3-[3-(trifluoromethyl)phenoxy]propan-1-amine?
2-(5-methylfuran-2-yl)-3-[3-(trifluoromethyl)phenoxy]propan-1-amine has a molecular weight of 299.29 g/mol, XLogP of 3.73, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methylfuran-2-yl)-3-[3-(trifluoromethyl)phenoxy]propan-1-amine is sourced from PubChem (CID 117240547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).