2-(2,3-difluorophenyl)-N-methyl-1-(3-methyl-1,4-dithian-2-yl)ethanamine

C14H19F2NS2 — CID 115386935

IUPAC2-(2,3-difluorophenyl)-N-methyl-1-(3-methyl-1,4-dithian-2-yl)ethanamine
SMILESCNC(Cc1cccc(F)c1F)C1SCCSC1C
InChIInChI=1S/C14H19F2NS2/c1-9-14(19-7-6-18-9)12(17-2)8-10-4-3-5-11(15)13(10)16/h3-5,9,12,14,17H,6-8H2,1-2H3
InChIKeyNEHJEFKSLARBAY-UHFFFAOYSA-N
MW303.44 g/mol
LogP3.33
Rot. Bonds4

About 2-(2,3-difluorophenyl)-N-methyl-1-(3-methyl-1,4-dithian-2-yl)ethanamine

2-(2,3-difluorophenyl)-N-methyl-1-(3-methyl-1,4-dithian-2-yl)ethanamine (PubChem CID 115386935) has the molecular formula C14H19F2NS2 and a molecular weight of 303.44 g/mol. Its IUPAC name is 2-(2,3-difluorophenyl)-N-methyl-1-(3-methyl-1,4-dithian-2-yl)ethanamine.

Molecular Properties

Compound Name2-(2,3-difluorophenyl)-N-methyl-1-(3-methyl-1,4-dithian-2-yl)ethanamine
PubChem CID115386935
Molecular FormulaC14H19F2NS2
Molecular Weight303.44 g/mol
Exact Mass303.09
IUPAC Name2-(2,3-difluorophenyl)-N-methyl-1-(3-methyl-1,4-dithian-2-yl)ethanamine
SMILESCNC(Cc1cccc(F)c1F)C1SCCSC1C
InChIInChI=1S/C14H19F2NS2/c1-9-14(19-7-6-18-9)12(17-2)8-10-4-3-5-11(15)13(10)16/h3-5,9,12,14,17H,6-8H2,1-2H3
InChIKeyNEHJEFKSLARBAY-UHFFFAOYSA-N
XLogP3.33
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.44
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,3-difluorophenyl)-N-ethyl-1-(3-methyl-1,4-dithian-2-yl)ethanamine
CID 115387174
[2-(2-bromo-3-fluorophenyl)-1-(3-methyl-1,4-dithian-2-yl)ethyl]hydrazine
CID 105259504
[2-(2,6-difluorophenyl)-1-(3-methyl-1,4-dithian-2-yl)ethyl]hydrazine
CID 105259734
N-[2-(2-fluorophenyl)-1-(3-methyl-1,4-dithian-2-yl)ethyl]propan-1-amine
CID 115387355
2-(2,3-difluorophenyl)-N-methyl-1-(oxan-4-yl)ethanamine
CID 65334965
2-(2,6-difluorophenyl)-1-(3-methyl-1,4-dithian-2-yl)ethanol
CID 114931629
1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-2-(2,3-difluorophenyl)-N-methylethanamine
CID 64984397
N-methyl-1-(3-methyl-1,4-dithian-2-yl)-1-(2,3,4-trifluorophenyl)methanamine
CID 115386909
N-[2-(2-chloro-6-fluorophenyl)-1-(3-methyl-1,4-dithian-2-yl)ethyl]propan-1-amine
CID 115387328
[1-(3-methyl-1,4-dithian-2-yl)-2-(2-methylphenyl)ethyl]hydrazine
CID 105259569
2-(2,3-difluorophenyl)-N-methyl-1-(2,2,5,5-tetramethyloxolan-3-yl)ethanamine
CID 105052763
2-(3-chloro-2-fluorophenyl)-N-methyl-1-(thian-2-yl)ethanamine
CID 102857841

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-difluorophenyl)-N-methyl-1-(3-methyl-1,4-dithian-2-yl)ethanamine?
The IUPAC name of 2-(2,3-difluorophenyl)-N-methyl-1-(3-methyl-1,4-dithian-2-yl)ethanamine (CID 115386935) is 2-(2,3-difluorophenyl)-N-methyl-1-(3-methyl-1,4-dithian-2-yl)ethanamine.
What is the SMILES notation for 2-(2,3-difluorophenyl)-N-methyl-1-(3-methyl-1,4-dithian-2-yl)ethanamine?
The canonical SMILES for 2-(2,3-difluorophenyl)-N-methyl-1-(3-methyl-1,4-dithian-2-yl)ethanamine is CNC(Cc1cccc(F)c1F)C1SCCSC1C.
What is the InChIKey of 2-(2,3-difluorophenyl)-N-methyl-1-(3-methyl-1,4-dithian-2-yl)ethanamine?
The InChIKey is NEHJEFKSLARBAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F2NS2/c1-9-14(19-7-6-18-9)12(17-2)8-10-4-3-5-11(15)13(10)16/h3-5,9,12,14,17H,6-8H2,1-2H3.
What are the key properties of 2-(2,3-difluorophenyl)-N-methyl-1-(3-methyl-1,4-dithian-2-yl)ethanamine?
2-(2,3-difluorophenyl)-N-methyl-1-(3-methyl-1,4-dithian-2-yl)ethanamine has a molecular weight of 303.44 g/mol, XLogP of 3.33, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-difluorophenyl)-N-methyl-1-(3-methyl-1,4-dithian-2-yl)ethanamine is sourced from PubChem (CID 115386935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).