2-(furan-2-ylmethylsulfanyl)-N-methyl-1-[3-(trifluoromethyl)phenyl]ethanamine

C15H16F3NOS — CID 64609492

IUPAC2-(furan-2-ylmethylsulfanyl)-N-methyl-1-[3-(trifluoromethyl)phenyl]ethanamine
SMILESCNC(CSCc1ccco1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C15H16F3NOS/c1-19-14(10-21-9-13-6-3-7-20-13)11-4-2-5-12(8-11)15(16,17)18/h2-8,14,19H,9-10H2,1H3
InChIKeyFKWRWMQOCVULRA-UHFFFAOYSA-N
MW315.36 g/mol
LogP4.49
Rot. Bonds6

About 2-(furan-2-ylmethylsulfanyl)-N-methyl-1-[3-(trifluoromethyl)phenyl]ethanamine

2-(furan-2-ylmethylsulfanyl)-N-methyl-1-[3-(trifluoromethyl)phenyl]ethanamine (PubChem CID 64609492) has the molecular formula C15H16F3NOS and a molecular weight of 315.36 g/mol. Its IUPAC name is 2-(furan-2-ylmethylsulfanyl)-N-methyl-1-[3-(trifluoromethyl)phenyl]ethanamine.

Molecular Properties

Compound Name2-(furan-2-ylmethylsulfanyl)-N-methyl-1-[3-(trifluoromethyl)phenyl]ethanamine
PubChem CID64609492
Molecular FormulaC15H16F3NOS
Molecular Weight315.36 g/mol
Exact Mass315.09
IUPAC Name2-(furan-2-ylmethylsulfanyl)-N-methyl-1-[3-(trifluoromethyl)phenyl]ethanamine
SMILESCNC(CSCc1ccco1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C15H16F3NOS/c1-19-14(10-21-9-13-6-3-7-20-13)11-4-2-5-12(8-11)15(16,17)18/h2-8,14,19H,9-10H2,1H3
InChIKeyFKWRWMQOCVULRA-UHFFFAOYSA-N
XLogP4.49
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.36
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-ylmethylsulfanyl)-N-methyl-1-[3-(trifluoromethyl)phenyl]ethanamine?
The IUPAC name of 2-(furan-2-ylmethylsulfanyl)-N-methyl-1-[3-(trifluoromethyl)phenyl]ethanamine (CID 64609492) is 2-(furan-2-ylmethylsulfanyl)-N-methyl-1-[3-(trifluoromethyl)phenyl]ethanamine.
What is the SMILES notation for 2-(furan-2-ylmethylsulfanyl)-N-methyl-1-[3-(trifluoromethyl)phenyl]ethanamine?
The canonical SMILES for 2-(furan-2-ylmethylsulfanyl)-N-methyl-1-[3-(trifluoromethyl)phenyl]ethanamine is CNC(CSCc1ccco1)c1cccc(C(F)(F)F)c1.
What is the InChIKey of 2-(furan-2-ylmethylsulfanyl)-N-methyl-1-[3-(trifluoromethyl)phenyl]ethanamine?
The InChIKey is FKWRWMQOCVULRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F3NOS/c1-19-14(10-21-9-13-6-3-7-20-13)11-4-2-5-12(8-11)15(16,17)18/h2-8,14,19H,9-10H2,1H3.
What are the key properties of 2-(furan-2-ylmethylsulfanyl)-N-methyl-1-[3-(trifluoromethyl)phenyl]ethanamine?
2-(furan-2-ylmethylsulfanyl)-N-methyl-1-[3-(trifluoromethyl)phenyl]ethanamine has a molecular weight of 315.36 g/mol, XLogP of 4.49, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-ylmethylsulfanyl)-N-methyl-1-[3-(trifluoromethyl)phenyl]ethanamine is sourced from PubChem (CID 64609492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).