N-(furan-2-ylmethyl)-1-[4-(trifluoromethylsulfanyl)phenyl]methanamine

C13H12F3NOS — CID 16775123

IUPACN-(furan-2-ylmethyl)-1-[4-(trifluoromethylsulfanyl)phenyl]methanamine
SMILESFC(F)(F)Sc1ccc(CNCc2ccco2)cc1
InChIInChI=1S/C13H12F3NOS/c14-13(15,16)19-12-5-3-10(4-6-12)8-17-9-11-2-1-7-18-11/h1-7,17H,8-9H2
InChIKeyJYTSWPAHDUDXOD-UHFFFAOYSA-N
MW287.31 g/mol
LogP4.18
Rot. Bonds5

About N-(furan-2-ylmethyl)-1-[4-(trifluoromethylsulfanyl)phenyl]methanamine

N-(furan-2-ylmethyl)-1-[4-(trifluoromethylsulfanyl)phenyl]methanamine (PubChem CID 16775123) has the molecular formula C13H12F3NOS and a molecular weight of 287.31 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-1-[4-(trifluoromethylsulfanyl)phenyl]methanamine.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-1-[4-(trifluoromethylsulfanyl)phenyl]methanamine
PubChem CID16775123
Molecular FormulaC13H12F3NOS
Molecular Weight287.31 g/mol
Exact Mass287.06
IUPAC NameN-(furan-2-ylmethyl)-1-[4-(trifluoromethylsulfanyl)phenyl]methanamine
SMILESFC(F)(F)Sc1ccc(CNCc2ccco2)cc1
InChIInChI=1S/C13H12F3NOS/c14-13(15,16)19-12-5-3-10(4-6-12)8-17-9-11-2-1-7-18-11/h1-7,17H,8-9H2
InChIKeyJYTSWPAHDUDXOD-UHFFFAOYSA-N
XLogP4.18
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.31
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(5-methylfuran-2-yl)methyl]-1-[4-(trifluoromethylsulfanyl)phenyl]methanamine
CID 62523844
1-(furan-2-yl)-N,N-dimethyl-N'-[[4-(trifluoromethylsulfanyl)phenyl]methyl]ethane-1,2-diamine
CID 78829971
1-(4-methylphenyl)-N-[[4-(trifluoromethylsulfanyl)phenyl]methyl]methanamine
CID 29273379
2,2-difluoro-N-[[4-(trifluoromethylsulfanyl)phenyl]methyl]ethanamine
CID 115405900
N-[(3,5-difluorophenyl)methyl]-1-(furan-2-yl)methanamine
CID 60957165
3-fluoro-N-[[4-(trifluoromethylsulfanyl)phenyl]methyl]propan-1-amine
CID 113263640
2-methyl-N-[[4-(trifluoromethylsulfanyl)phenyl]methyl]propan-1-amine
CID 29298157
1-(4-tert-butylphenyl)-N-(furan-2-ylmethyl)methanamine;oxalic acid
CID 17382599
2-methylsulfanyl-N-[[4-(trifluoromethylsulfanyl)phenyl]methyl]ethanamine
CID 60699399
2-methyl-1-[[4-(trifluoromethylsulfanyl)phenyl]methylamino]propan-2-ol
CID 63933936
N-(furan-2-ylmethyl)-2-[4-(trifluoromethyl)phenyl]ethanamine
CID 55021280
2-fluoro-5-[(furan-2-ylmethylamino)methyl]-N,N-dimethylaniline
CID 84753814

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-1-[4-(trifluoromethylsulfanyl)phenyl]methanamine?
The IUPAC name of N-(furan-2-ylmethyl)-1-[4-(trifluoromethylsulfanyl)phenyl]methanamine (CID 16775123) is N-(furan-2-ylmethyl)-1-[4-(trifluoromethylsulfanyl)phenyl]methanamine.
What is the SMILES notation for N-(furan-2-ylmethyl)-1-[4-(trifluoromethylsulfanyl)phenyl]methanamine?
The canonical SMILES for N-(furan-2-ylmethyl)-1-[4-(trifluoromethylsulfanyl)phenyl]methanamine is FC(F)(F)Sc1ccc(CNCc2ccco2)cc1.
What is the InChIKey of N-(furan-2-ylmethyl)-1-[4-(trifluoromethylsulfanyl)phenyl]methanamine?
The InChIKey is JYTSWPAHDUDXOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F3NOS/c14-13(15,16)19-12-5-3-10(4-6-12)8-17-9-11-2-1-7-18-11/h1-7,17H,8-9H2.
What are the key properties of N-(furan-2-ylmethyl)-1-[4-(trifluoromethylsulfanyl)phenyl]methanamine?
N-(furan-2-ylmethyl)-1-[4-(trifluoromethylsulfanyl)phenyl]methanamine has a molecular weight of 287.31 g/mol, XLogP of 4.18, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-1-[4-(trifluoromethylsulfanyl)phenyl]methanamine is sourced from PubChem (CID 16775123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).