1-[4-(2-fluoroethylsulfanyl)phenyl]-N-methylethanamine

C11H16FNS — CID 80695811

IUPAC1-[4-(2-fluoroethylsulfanyl)phenyl]-N-methylethanamine
SMILESCNC(C)c1ccc(SCCF)cc1
InChIInChI=1S/C11H16FNS/c1-9(13-2)10-3-5-11(6-4-10)14-8-7-12/h3-6,9,13H,7-8H2,1-2H3
InChIKeyCSWKYTOHPRPMNT-UHFFFAOYSA-N
MW213.32 g/mol
LogP3.03
Rot. Bonds5

About 1-[4-(2-fluoroethylsulfanyl)phenyl]-N-methylethanamine

1-[4-(2-fluoroethylsulfanyl)phenyl]-N-methylethanamine (PubChem CID 80695811) has the molecular formula C11H16FNS and a molecular weight of 213.32 g/mol. Its IUPAC name is 1-[4-(2-fluoroethylsulfanyl)phenyl]-N-methylethanamine.

Molecular Properties

Compound Name1-[4-(2-fluoroethylsulfanyl)phenyl]-N-methylethanamine
PubChem CID80695811
Molecular FormulaC11H16FNS
Molecular Weight213.32 g/mol
Exact Mass213.10
IUPAC Name1-[4-(2-fluoroethylsulfanyl)phenyl]-N-methylethanamine
SMILESCNC(C)c1ccc(SCCF)cc1
InChIInChI=1S/C11H16FNS/c1-9(13-2)10-3-5-11(6-4-10)14-8-7-12/h3-6,9,13H,7-8H2,1-2H3
InChIKeyCSWKYTOHPRPMNT-UHFFFAOYSA-N
XLogP3.03
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-(ethoxymethylsulfanyl)phenyl]-N-methylethanamine
CID 65366968
1-[4-(2,2-difluoro-2-phenylethyl)sulfanylphenyl]-N-methylethanamine
CID 116790706
1-[4-[(5-chloro-2-fluorophenyl)methylsulfanyl]phenyl]-N-methylethanamine
CID 103050220
N-methyl-1-(4-pentan-2-ylsulfanylphenyl)ethanamine
CID 107887917
(1R)-1-[4-(difluoromethyl)phenyl]-N-methylethanamine;ethane
CID 143698320
N-methyl-1-[4-[2-(1-methylpiperidin-2-yl)ethylsulfanyl]phenyl]ethanamine
CID 107914251
N-methyl-1-[4-[(3-methylphenyl)methylsulfanyl]phenyl]ethanamine
CID 55112738
1-[4-[(2,3-dichlorophenyl)methylsulfanyl]phenyl]-N-methylethanamine
CID 107310191
N-ethyl-1-[4-(3-methylbut-3-enylsulfanyl)phenyl]ethanamine
CID 114476887
N-methyl-1-[4-(oxetan-3-ylsulfanyl)phenyl]ethanamine
CID 79326298
1-[4-(2-chlorophenyl)sulfanylphenyl]-N-methylethanamine
CID 43286279
1-[4-[(1-butan-2-ylpyrazol-3-yl)methylsulfanyl]phenyl]-N-methylethanamine
CID 64777561

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-fluoroethylsulfanyl)phenyl]-N-methylethanamine?
The IUPAC name of 1-[4-(2-fluoroethylsulfanyl)phenyl]-N-methylethanamine (CID 80695811) is 1-[4-(2-fluoroethylsulfanyl)phenyl]-N-methylethanamine.
What is the SMILES notation for 1-[4-(2-fluoroethylsulfanyl)phenyl]-N-methylethanamine?
The canonical SMILES for 1-[4-(2-fluoroethylsulfanyl)phenyl]-N-methylethanamine is CNC(C)c1ccc(SCCF)cc1.
What is the InChIKey of 1-[4-(2-fluoroethylsulfanyl)phenyl]-N-methylethanamine?
The InChIKey is CSWKYTOHPRPMNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FNS/c1-9(13-2)10-3-5-11(6-4-10)14-8-7-12/h3-6,9,13H,7-8H2,1-2H3.
What are the key properties of 1-[4-(2-fluoroethylsulfanyl)phenyl]-N-methylethanamine?
1-[4-(2-fluoroethylsulfanyl)phenyl]-N-methylethanamine has a molecular weight of 213.32 g/mol, XLogP of 3.03, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-fluoroethylsulfanyl)phenyl]-N-methylethanamine is sourced from PubChem (CID 80695811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).