1-(2-fluoro-6-phenylsulfanylphenyl)-N-methylethanamine

C15H16FNS — CID 43286140

IUPAC1-(2-fluoro-6-phenylsulfanylphenyl)-N-methylethanamine
SMILESCNC(C)c1c(F)cccc1Sc1ccccc1
InChIInChI=1S/C15H16FNS/c1-11(17-2)15-13(16)9-6-10-14(15)18-12-7-4-3-5-8-12/h3-11,17H,1-2H3
InChIKeyRUDPKWMVBNHBMS-UHFFFAOYSA-N
MW261.37 g/mol
LogP4.26
Rot. Bonds4

About 1-(2-fluoro-6-phenylsulfanylphenyl)-N-methylethanamine

1-(2-fluoro-6-phenylsulfanylphenyl)-N-methylethanamine (PubChem CID 43286140) has the molecular formula C15H16FNS and a molecular weight of 261.37 g/mol. Its IUPAC name is 1-(2-fluoro-6-phenylsulfanylphenyl)-N-methylethanamine.

Molecular Properties

Compound Name1-(2-fluoro-6-phenylsulfanylphenyl)-N-methylethanamine
PubChem CID43286140
Molecular FormulaC15H16FNS
Molecular Weight261.37 g/mol
Exact Mass261.10
IUPAC Name1-(2-fluoro-6-phenylsulfanylphenyl)-N-methylethanamine
SMILESCNC(C)c1c(F)cccc1Sc1ccccc1
InChIInChI=1S/C15H16FNS/c1-11(17-2)15-13(16)9-6-10-14(15)18-12-7-4-3-5-8-12/h3-11,17H,1-2H3
InChIKeyRUDPKWMVBNHBMS-UHFFFAOYSA-N
XLogP4.26
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(2-bromophenyl)sulfanyl-6-fluorophenyl]-N-methylethanamine
CID 43286543
1-[2-(2,4-dimethylphenyl)sulfanyl-6-fluorophenyl]-N-methylethanamine
CID 43286290
3-fluoro-2-[(1R)-1-(methylamino)ethyl]aniline
CID 130738450
1-[2-fluoro-6-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]-N-methylethanamine
CID 43286360
1-[2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-6-fluorophenyl]-N-methylethanamine
CID 102925158
1-(2-cyclohexylsulfanyl-6-fluorophenyl)-N-methylethanamine
CID 60887037
1-[2-fluoro-6-(1-phenylethoxy)phenyl]-N-methylethanamine
CID 43285066
(1R)-1-[2-(4-bromophenyl)sulfanyl-6-fluorophenyl]ethanamine
CID 55184086
1-[2-fluoro-6-(4-methylphenyl)sulfanylphenyl]ethanol
CID 63812916
N-[1-[2-(2-chlorophenyl)sulfanyl-6-fluorophenyl]ethyl]propan-1-amine
CID 43286274
(1S)-1-[2-fluoro-6-(4-propan-2-ylphenyl)sulfanylphenyl]ethanol
CID 78952014
(1S)-1-[2-fluoro-6-(3-methylphenyl)sulfanylphenyl]ethanamine
CID 78938825

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoro-6-phenylsulfanylphenyl)-N-methylethanamine?
The IUPAC name of 1-(2-fluoro-6-phenylsulfanylphenyl)-N-methylethanamine (CID 43286140) is 1-(2-fluoro-6-phenylsulfanylphenyl)-N-methylethanamine.
What is the SMILES notation for 1-(2-fluoro-6-phenylsulfanylphenyl)-N-methylethanamine?
The canonical SMILES for 1-(2-fluoro-6-phenylsulfanylphenyl)-N-methylethanamine is CNC(C)c1c(F)cccc1Sc1ccccc1.
What is the InChIKey of 1-(2-fluoro-6-phenylsulfanylphenyl)-N-methylethanamine?
The InChIKey is RUDPKWMVBNHBMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FNS/c1-11(17-2)15-13(16)9-6-10-14(15)18-12-7-4-3-5-8-12/h3-11,17H,1-2H3.
What are the key properties of 1-(2-fluoro-6-phenylsulfanylphenyl)-N-methylethanamine?
1-(2-fluoro-6-phenylsulfanylphenyl)-N-methylethanamine has a molecular weight of 261.37 g/mol, XLogP of 4.26, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoro-6-phenylsulfanylphenyl)-N-methylethanamine is sourced from PubChem (CID 43286140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).