[5-methyl-4-[[2-(trifluoromethyl)phenoxy]methyl]furan-2-yl]methanamine

C14H14F3NO2 — CID 62450904

IUPAC[5-methyl-4-[[2-(trifluoromethyl)phenoxy]methyl]furan-2-yl]methanamine
SMILESCc1oc(CN)cc1COc1ccccc1C(F)(F)F
InChIInChI=1S/C14H14F3NO2/c1-9-10(6-11(7-18)20-9)8-19-13-5-3-2-4-12(13)14(15,16)17/h2-6H,7-8,18H2,1H3
InChIKeyLLHIJESQGKYICI-UHFFFAOYSA-N
MW285.26 g/mol
LogP3.64
Rot. Bonds4

About [5-methyl-4-[[2-(trifluoromethyl)phenoxy]methyl]furan-2-yl]methanamine

[5-methyl-4-[[2-(trifluoromethyl)phenoxy]methyl]furan-2-yl]methanamine (PubChem CID 62450904) has the molecular formula C14H14F3NO2 and a molecular weight of 285.26 g/mol. Its IUPAC name is [5-methyl-4-[[2-(trifluoromethyl)phenoxy]methyl]furan-2-yl]methanamine.

Molecular Properties

Compound Name[5-methyl-4-[[2-(trifluoromethyl)phenoxy]methyl]furan-2-yl]methanamine
PubChem CID62450904
Molecular FormulaC14H14F3NO2
Molecular Weight285.26 g/mol
Exact Mass285.10
IUPAC Name[5-methyl-4-[[2-(trifluoromethyl)phenoxy]methyl]furan-2-yl]methanamine
SMILESCc1oc(CN)cc1COc1ccccc1C(F)(F)F
InChIInChI=1S/C14H14F3NO2/c1-9-10(6-11(7-18)20-9)8-19-13-5-3-2-4-12(13)14(15,16)17/h2-6H,7-8,18H2,1H3
InChIKeyLLHIJESQGKYICI-UHFFFAOYSA-N
XLogP3.64
TPSA48.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.26
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-[(2-fluorophenoxy)methyl]-5-methylfuran-2-yl]methanamine
CID 62454744
[5-methyl-4-[(2-propoxyphenoxy)methyl]furan-2-yl]methanamine
CID 62449992
[4-[(2,5-dimethylphenoxy)methyl]-5-methylfuran-2-yl]methanamine
CID 62452684
1,4-dibromo-2,5-bis[[2-(trifluoromethyl)phenoxy]methyl]benzene
CID 86588170
[3-[[2-(trifluoromethyl)phenoxy]methyl]furan-2-yl]methanamine
CID 55077539
4-fluoro-2-[[2-(trifluoromethyl)phenoxy]methyl]aniline
CID 43443841
[5-[(2-chlorophenoxy)methyl]-2-methylfuran-3-yl]methanamine
CID 62453737
5-methyl-2-[[2-(trifluoromethyl)phenoxy]methyl]phenol
CID 117221012
[4-[(4-bromo-2,5-dichlorophenoxy)methyl]-5-methylfuran-2-yl]methanamine
CID 107661009
4-methyl-2-[[2-(trifluoromethyl)phenoxy]methyl]-1-benzofuran
CID 117184696
[4-[[2-(trifluoromethyl)phenoxy]methyl]-2-pyridinyl]methanamine
CID 63889622
N-[[4-[(2-fluorophenoxy)methyl]-5-methylfuran-2-yl]methyl]ethanamine
CID 62454234

Frequently Asked Questions

What is the IUPAC name of [5-methyl-4-[[2-(trifluoromethyl)phenoxy]methyl]furan-2-yl]methanamine?
The IUPAC name of [5-methyl-4-[[2-(trifluoromethyl)phenoxy]methyl]furan-2-yl]methanamine (CID 62450904) is [5-methyl-4-[[2-(trifluoromethyl)phenoxy]methyl]furan-2-yl]methanamine.
What is the SMILES notation for [5-methyl-4-[[2-(trifluoromethyl)phenoxy]methyl]furan-2-yl]methanamine?
The canonical SMILES for [5-methyl-4-[[2-(trifluoromethyl)phenoxy]methyl]furan-2-yl]methanamine is Cc1oc(CN)cc1COc1ccccc1C(F)(F)F.
What is the InChIKey of [5-methyl-4-[[2-(trifluoromethyl)phenoxy]methyl]furan-2-yl]methanamine?
The InChIKey is LLHIJESQGKYICI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F3NO2/c1-9-10(6-11(7-18)20-9)8-19-13-5-3-2-4-12(13)14(15,16)17/h2-6H,7-8,18H2,1H3.
What are the key properties of [5-methyl-4-[[2-(trifluoromethyl)phenoxy]methyl]furan-2-yl]methanamine?
[5-methyl-4-[[2-(trifluoromethyl)phenoxy]methyl]furan-2-yl]methanamine has a molecular weight of 285.26 g/mol, XLogP of 3.64, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-methyl-4-[[2-(trifluoromethyl)phenoxy]methyl]furan-2-yl]methanamine is sourced from PubChem (CID 62450904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).