N-[(5-methylfuran-2-yl)methyl]-1-[4-(trifluoromethylsulfanyl)phenyl]methanamine

C14H14F3NOS — CID 62523844

IUPACN-[(5-methylfuran-2-yl)methyl]-1-[4-(trifluoromethylsulfanyl)phenyl]methanamine
SMILESCc1ccc(CNCc2ccc(SC(F)(F)F)cc2)o1
InChIInChI=1S/C14H14F3NOS/c1-10-2-5-12(19-10)9-18-8-11-3-6-13(7-4-11)20-14(15,16)17/h2-7,18H,8-9H2,1H3
InChIKeyFWAWECHLGKQICF-UHFFFAOYSA-N
MW301.33 g/mol
LogP4.49
Rot. Bonds5

About N-[(5-methylfuran-2-yl)methyl]-1-[4-(trifluoromethylsulfanyl)phenyl]methanamine

N-[(5-methylfuran-2-yl)methyl]-1-[4-(trifluoromethylsulfanyl)phenyl]methanamine (PubChem CID 62523844) has the molecular formula C14H14F3NOS and a molecular weight of 301.33 g/mol. Its IUPAC name is N-[(5-methylfuran-2-yl)methyl]-1-[4-(trifluoromethylsulfanyl)phenyl]methanamine.

Molecular Properties

Compound NameN-[(5-methylfuran-2-yl)methyl]-1-[4-(trifluoromethylsulfanyl)phenyl]methanamine
PubChem CID62523844
Molecular FormulaC14H14F3NOS
Molecular Weight301.33 g/mol
Exact Mass301.07
IUPAC NameN-[(5-methylfuran-2-yl)methyl]-1-[4-(trifluoromethylsulfanyl)phenyl]methanamine
SMILESCc1ccc(CNCc2ccc(SC(F)(F)F)cc2)o1
InChIInChI=1S/C14H14F3NOS/c1-10-2-5-12(19-10)9-18-8-11-3-6-13(7-4-11)20-14(15,16)17/h2-7,18H,8-9H2,1H3
InChIKeyFWAWECHLGKQICF-UHFFFAOYSA-N
XLogP4.49
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.33
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-methylphenyl)-N-[[4-(trifluoromethylsulfanyl)phenyl]methyl]methanamine
CID 29273379
N-(furan-2-ylmethyl)-1-[4-(trifluoromethylsulfanyl)phenyl]methanamine
CID 16775123
2-methyl-N-[[4-(trifluoromethylsulfanyl)phenyl]methyl]propan-1-amine
CID 29298157
N-[(5-methylfuran-2-yl)methyl]-1-(4-propan-2-yloxyphenyl)methanamine
CID 60761686
N-[(3,5-dimethylphenyl)methyl]-1-(5-methylfuran-2-yl)methanamine
CID 55081933
2-methyl-1-[[4-(trifluoromethylsulfanyl)phenyl]methylamino]propan-2-ol
CID 63933936
2-methylsulfanyl-N-[[4-(trifluoromethylsulfanyl)phenyl]methyl]ethanamine
CID 60699399
3-methyl-N-[[4-(trifluoromethylsulfanyl)phenyl]methyl]pentan-3-amine
CID 106327870
2,2-difluoro-N-[[4-(trifluoromethylsulfanyl)phenyl]methyl]ethanamine
CID 115405900
N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-[4-(trifluoromethylsulfanyl)phenyl]methanamine
CID 63280056
5-[[(5-methylfuran-2-yl)methylamino]methyl]furan-2-carboxylic acid
CID 63317717
3-fluoro-N-[[4-(trifluoromethylsulfanyl)phenyl]methyl]propan-1-amine
CID 113263640

Frequently Asked Questions

What is the IUPAC name of N-[(5-methylfuran-2-yl)methyl]-1-[4-(trifluoromethylsulfanyl)phenyl]methanamine?
The IUPAC name of N-[(5-methylfuran-2-yl)methyl]-1-[4-(trifluoromethylsulfanyl)phenyl]methanamine (CID 62523844) is N-[(5-methylfuran-2-yl)methyl]-1-[4-(trifluoromethylsulfanyl)phenyl]methanamine.
What is the SMILES notation for N-[(5-methylfuran-2-yl)methyl]-1-[4-(trifluoromethylsulfanyl)phenyl]methanamine?
The canonical SMILES for N-[(5-methylfuran-2-yl)methyl]-1-[4-(trifluoromethylsulfanyl)phenyl]methanamine is Cc1ccc(CNCc2ccc(SC(F)(F)F)cc2)o1.
What is the InChIKey of N-[(5-methylfuran-2-yl)methyl]-1-[4-(trifluoromethylsulfanyl)phenyl]methanamine?
The InChIKey is FWAWECHLGKQICF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F3NOS/c1-10-2-5-12(19-10)9-18-8-11-3-6-13(7-4-11)20-14(15,16)17/h2-7,18H,8-9H2,1H3.
What are the key properties of N-[(5-methylfuran-2-yl)methyl]-1-[4-(trifluoromethylsulfanyl)phenyl]methanamine?
N-[(5-methylfuran-2-yl)methyl]-1-[4-(trifluoromethylsulfanyl)phenyl]methanamine has a molecular weight of 301.33 g/mol, XLogP of 4.49, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methylfuran-2-yl)methyl]-1-[4-(trifluoromethylsulfanyl)phenyl]methanamine is sourced from PubChem (CID 62523844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).