1-(3-methylfuran-2-yl)-2-[4-(trifluoromethoxy)phenyl]ethanamine

C14H14F3NO2 — CID 104804388

IUPAC1-(3-methylfuran-2-yl)-2-[4-(trifluoromethoxy)phenyl]ethanamine
SMILESCc1ccoc1C(N)Cc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C14H14F3NO2/c1-9-6-7-19-13(9)12(18)8-10-2-4-11(5-3-10)20-14(15,16)17/h2-7,12H,8,18H2,1H3
InChIKeyFPQWVUVBSQXPLM-UHFFFAOYSA-N
MW285.27 g/mol
LogP3.73
Rot. Bonds4

About 1-(3-methylfuran-2-yl)-2-[4-(trifluoromethoxy)phenyl]ethanamine

1-(3-methylfuran-2-yl)-2-[4-(trifluoromethoxy)phenyl]ethanamine (PubChem CID 104804388) has the molecular formula C14H14F3NO2 and a molecular weight of 285.27 g/mol. Its IUPAC name is 1-(3-methylfuran-2-yl)-2-[4-(trifluoromethoxy)phenyl]ethanamine.

Molecular Properties

Compound Name1-(3-methylfuran-2-yl)-2-[4-(trifluoromethoxy)phenyl]ethanamine
PubChem CID104804388
Molecular FormulaC14H14F3NO2
Molecular Weight285.27 g/mol
Exact Mass285.10
IUPAC Name1-(3-methylfuran-2-yl)-2-[4-(trifluoromethoxy)phenyl]ethanamine
SMILESCc1ccoc1C(N)Cc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C14H14F3NO2/c1-9-6-7-19-13(9)12(18)8-10-2-4-11(5-3-10)20-14(15,16)17/h2-7,12H,8,18H2,1H3
InChIKeyFPQWVUVBSQXPLM-UHFFFAOYSA-N
XLogP3.73
TPSA48.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.27
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-methylfuran-2-yl)-2-phenylethanamine
CID 61078451
1,1-dimethoxy-3-[4-(trifluoromethoxy)phenyl]propan-2-amine
CID 79492941
2-(3-bromo-4-methoxyphenyl)-1-(3-methylfuran-2-yl)ethanamine
CID 104804312
2-amino-3-[4-(trifluoromethoxy)phenyl]propan-1-ol
CID 64573058
4-methyl-5-[4-(trifluoromethoxy)phenyl]pentan-2-amine
CID 64718513
1-phenyl-3-[4-(trifluoromethoxy)phenyl]propan-2-amine
CID 62608696
2-(furan-2-yl)-1-(3-methylfuran-2-yl)ethanamine
CID 104804301
1-propan-2-yloxy-3-[4-(trifluoromethoxy)phenyl]propan-2-amine
CID 105136604
1-(2,2,3,3-tetramethylcyclopropyl)-2-[4-(trifluoromethoxy)phenyl]ethanamine
CID 115843444
4-methyl-1-[4-(trifluoromethoxy)phenyl]pentan-2-ol
CID 62606117
2-(5-bromo-3-pyridinyl)-1-(3-methylfuran-2-yl)ethanamine
CID 104804107
1-tert-butylsulfanyl-3-[4-(trifluoromethoxy)phenyl]propan-2-amine
CID 65132270

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylfuran-2-yl)-2-[4-(trifluoromethoxy)phenyl]ethanamine?
The IUPAC name of 1-(3-methylfuran-2-yl)-2-[4-(trifluoromethoxy)phenyl]ethanamine (CID 104804388) is 1-(3-methylfuran-2-yl)-2-[4-(trifluoromethoxy)phenyl]ethanamine.
What is the SMILES notation for 1-(3-methylfuran-2-yl)-2-[4-(trifluoromethoxy)phenyl]ethanamine?
The canonical SMILES for 1-(3-methylfuran-2-yl)-2-[4-(trifluoromethoxy)phenyl]ethanamine is Cc1ccoc1C(N)Cc1ccc(OC(F)(F)F)cc1.
What is the InChIKey of 1-(3-methylfuran-2-yl)-2-[4-(trifluoromethoxy)phenyl]ethanamine?
The InChIKey is FPQWVUVBSQXPLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F3NO2/c1-9-6-7-19-13(9)12(18)8-10-2-4-11(5-3-10)20-14(15,16)17/h2-7,12H,8,18H2,1H3.
What are the key properties of 1-(3-methylfuran-2-yl)-2-[4-(trifluoromethoxy)phenyl]ethanamine?
1-(3-methylfuran-2-yl)-2-[4-(trifluoromethoxy)phenyl]ethanamine has a molecular weight of 285.27 g/mol, XLogP of 3.73, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylfuran-2-yl)-2-[4-(trifluoromethoxy)phenyl]ethanamine is sourced from PubChem (CID 104804388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).