1-(2,5-dimethylfuran-3-yl)-1-[3-fluoro-4-(trifluoromethyl)phenyl]-N-methylmethanamine

C15H15F4NO — CID 107291435

IUPAC1-(2,5-dimethylfuran-3-yl)-1-[3-fluoro-4-(trifluoromethyl)phenyl]-N-methylmethanamine
SMILESCNC(c1ccc(C(F)(F)F)c(F)c1)c1cc(C)oc1C
InChIInChI=1S/C15H15F4NO/c1-8-6-11(9(2)21-8)14(20-3)10-4-5-12(13(16)7-10)15(17,18)19/h4-7,14,20H,1-3H3
InChIKeyGEGRVRVKXFSAMP-UHFFFAOYSA-N
MW301.28 g/mol
LogP4.36
Rot. Bonds3

About 1-(2,5-dimethylfuran-3-yl)-1-[3-fluoro-4-(trifluoromethyl)phenyl]-N-methylmethanamine

1-(2,5-dimethylfuran-3-yl)-1-[3-fluoro-4-(trifluoromethyl)phenyl]-N-methylmethanamine (PubChem CID 107291435) has the molecular formula C15H15F4NO and a molecular weight of 301.28 g/mol. Its IUPAC name is 1-(2,5-dimethylfuran-3-yl)-1-[3-fluoro-4-(trifluoromethyl)phenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-(2,5-dimethylfuran-3-yl)-1-[3-fluoro-4-(trifluoromethyl)phenyl]-N-methylmethanamine
PubChem CID107291435
Molecular FormulaC15H15F4NO
Molecular Weight301.28 g/mol
Exact Mass301.11
IUPAC Name1-(2,5-dimethylfuran-3-yl)-1-[3-fluoro-4-(trifluoromethyl)phenyl]-N-methylmethanamine
SMILESCNC(c1ccc(C(F)(F)F)c(F)c1)c1cc(C)oc1C
InChIInChI=1S/C15H15F4NO/c1-8-6-11(9(2)21-8)14(20-3)10-4-5-12(13(16)7-10)15(17,18)19/h4-7,14,20H,1-3H3
InChIKeyGEGRVRVKXFSAMP-UHFFFAOYSA-N
XLogP4.36
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.28
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-bromofuran-3-yl)-1-[3-fluoro-4-(trifluoromethyl)phenyl]-N-methylmethanamine
CID 107291665
1-(1,5-dimethylpyrazol-4-yl)-1-[3-fluoro-4-(trifluoromethyl)phenyl]-N-methylmethanamine
CID 107291427
1-[3-fluoro-4-(trifluoromethyl)phenyl]-N-methyl-1-thiophen-3-ylmethanamine
CID 107288767
1-[3-fluoro-4-(trifluoromethyl)phenyl]-N-methyl-1-thiophen-2-ylmethanamine
CID 107288722
1-[3-fluoro-4-(trifluoromethyl)phenyl]-1-(3-iodophenyl)-N-methylmethanamine
CID 107291463
1-(4-bromo-3-chlorophenyl)-1-(2,5-dimethylfuran-3-yl)-N-methylmethanamine
CID 81290766
1-[3-fluoro-4-(trifluoromethyl)phenyl]-N-methyl-1-(2-methylpyrazol-3-yl)methanamine
CID 107291694
1-(2,5-dimethylfuran-3-yl)-N-methyl-1-(5-methylfuran-3-yl)methanamine
CID 114820181
1-(3-chloro-4-methylthiophen-2-yl)-1-[3-fluoro-4-(trifluoromethyl)phenyl]-N-methylmethanamine
CID 107291759
1-[4-fluoro-3-(trifluoromethyl)phenyl]-N-methyl-1-(2-methylphenyl)methanamine
CID 115794840
1-[3-fluoro-4-(trifluoromethyl)phenyl]-N-methyl-1-(2H-triazol-4-yl)methanamine
CID 107289217
1-(4-butylphenyl)-1-(2,5-dimethylfuran-3-yl)-N-methylmethanamine
CID 43484298

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylfuran-3-yl)-1-[3-fluoro-4-(trifluoromethyl)phenyl]-N-methylmethanamine?
The IUPAC name of 1-(2,5-dimethylfuran-3-yl)-1-[3-fluoro-4-(trifluoromethyl)phenyl]-N-methylmethanamine (CID 107291435) is 1-(2,5-dimethylfuran-3-yl)-1-[3-fluoro-4-(trifluoromethyl)phenyl]-N-methylmethanamine.
What is the SMILES notation for 1-(2,5-dimethylfuran-3-yl)-1-[3-fluoro-4-(trifluoromethyl)phenyl]-N-methylmethanamine?
The canonical SMILES for 1-(2,5-dimethylfuran-3-yl)-1-[3-fluoro-4-(trifluoromethyl)phenyl]-N-methylmethanamine is CNC(c1ccc(C(F)(F)F)c(F)c1)c1cc(C)oc1C.
What is the InChIKey of 1-(2,5-dimethylfuran-3-yl)-1-[3-fluoro-4-(trifluoromethyl)phenyl]-N-methylmethanamine?
The InChIKey is GEGRVRVKXFSAMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F4NO/c1-8-6-11(9(2)21-8)14(20-3)10-4-5-12(13(16)7-10)15(17,18)19/h4-7,14,20H,1-3H3.
What are the key properties of 1-(2,5-dimethylfuran-3-yl)-1-[3-fluoro-4-(trifluoromethyl)phenyl]-N-methylmethanamine?
1-(2,5-dimethylfuran-3-yl)-1-[3-fluoro-4-(trifluoromethyl)phenyl]-N-methylmethanamine has a molecular weight of 301.28 g/mol, XLogP of 4.36, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylfuran-3-yl)-1-[3-fluoro-4-(trifluoromethyl)phenyl]-N-methylmethanamine is sourced from PubChem (CID 107291435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).