1-(3-fluorophenyl)-2-(3-fluorophenyl)sulfanyl-N-methylethanamine

C15H15F2NS — CID 66072488

IUPAC1-(3-fluorophenyl)-2-(3-fluorophenyl)sulfanyl-N-methylethanamine
SMILESCNC(CSc1cccc(F)c1)c1cccc(F)c1
InChIInChI=1S/C15H15F2NS/c1-18-15(11-4-2-5-12(16)8-11)10-19-14-7-3-6-13(17)9-14/h2-9,15,18H,10H2,1H3
InChIKeyMSYHKOWUQGAXBY-UHFFFAOYSA-N
MW279.36 g/mol
LogP4.02
Rot. Bonds5

About 1-(3-fluorophenyl)-2-(3-fluorophenyl)sulfanyl-N-methylethanamine

1-(3-fluorophenyl)-2-(3-fluorophenyl)sulfanyl-N-methylethanamine (PubChem CID 66072488) has the molecular formula C15H15F2NS and a molecular weight of 279.36 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-2-(3-fluorophenyl)sulfanyl-N-methylethanamine.

Molecular Properties

Compound Name1-(3-fluorophenyl)-2-(3-fluorophenyl)sulfanyl-N-methylethanamine
PubChem CID66072488
Molecular FormulaC15H15F2NS
Molecular Weight279.36 g/mol
Exact Mass279.09
IUPAC Name1-(3-fluorophenyl)-2-(3-fluorophenyl)sulfanyl-N-methylethanamine
SMILESCNC(CSc1cccc(F)c1)c1cccc(F)c1
InChIInChI=1S/C15H15F2NS/c1-18-15(11-4-2-5-12(16)8-11)10-19-14-7-3-6-13(17)9-14/h2-9,15,18H,10H2,1H3
InChIKeyMSYHKOWUQGAXBY-UHFFFAOYSA-N
XLogP4.02
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.36
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,4-dichlorophenyl)-2-(3-fluorophenyl)sulfanyl-N-methylethanamine
CID 66071458
2-(4-bromophenyl)sulfanyl-1-(3-fluorophenyl)-N-methylethanamine
CID 66055898
1-(2,5-difluorophenyl)-2-(3-fluorophenyl)sulfanyl-N-methylethanamine
CID 66072696
(1R)-1-(3-fluorophenyl)-N-methylpropan-1-amine
CID 93312415
2-butan-2-ylsulfanyl-1-(3-fluorophenyl)-N-methylethanamine
CID 65136489
2-(4-fluorophenyl)sulfanyl-N-methyl-1-(3-methylphenyl)ethanamine
CID 64620706
N-ethyl-1-(3-fluorophenyl)-2-(3-methylphenyl)sulfanylethanamine
CID 66086617
4-ethyl-1-(3-fluorophenyl)sulfanyl-N-methylhexan-2-amine
CID 82923342
2-(3-bromophenyl)sulfanyl-1-(3-fluoro-5-methylphenyl)-N-methylethanamine
CID 79703608
1-(2-ethylpyrazol-3-yl)-2-(3-fluorophenyl)sulfanyl-N-methylethanamine
CID 66071865
1-(4-chloro-1-methylpyrazol-5-yl)-2-(3-fluorophenyl)sulfanyl-N-methylethanamine
CID 114656071
1-(5-bromo-3-methyltriazol-4-yl)-2-(3-fluorophenyl)sulfanyl-N-methylethanamine
CID 106462563

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-2-(3-fluorophenyl)sulfanyl-N-methylethanamine?
The IUPAC name of 1-(3-fluorophenyl)-2-(3-fluorophenyl)sulfanyl-N-methylethanamine (CID 66072488) is 1-(3-fluorophenyl)-2-(3-fluorophenyl)sulfanyl-N-methylethanamine.
What is the SMILES notation for 1-(3-fluorophenyl)-2-(3-fluorophenyl)sulfanyl-N-methylethanamine?
The canonical SMILES for 1-(3-fluorophenyl)-2-(3-fluorophenyl)sulfanyl-N-methylethanamine is CNC(CSc1cccc(F)c1)c1cccc(F)c1.
What is the InChIKey of 1-(3-fluorophenyl)-2-(3-fluorophenyl)sulfanyl-N-methylethanamine?
The InChIKey is MSYHKOWUQGAXBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F2NS/c1-18-15(11-4-2-5-12(16)8-11)10-19-14-7-3-6-13(17)9-14/h2-9,15,18H,10H2,1H3.
What are the key properties of 1-(3-fluorophenyl)-2-(3-fluorophenyl)sulfanyl-N-methylethanamine?
1-(3-fluorophenyl)-2-(3-fluorophenyl)sulfanyl-N-methylethanamine has a molecular weight of 279.36 g/mol, XLogP of 4.02, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)-2-(3-fluorophenyl)sulfanyl-N-methylethanamine is sourced from PubChem (CID 66072488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).