2-(2,4-difluorophenyl)-1-(1,4-dithian-2-yl)-N-methylethanamine

C13H17F2NS2 — CID 79966643

IUPAC2-(2,4-difluorophenyl)-1-(1,4-dithian-2-yl)-N-methylethanamine
SMILESCNC(Cc1ccc(F)cc1F)C1CSCCS1
InChIInChI=1S/C13H17F2NS2/c1-16-12(13-8-17-4-5-18-13)6-9-2-3-10(14)7-11(9)15/h2-3,7,12-13,16H,4-6,8H2,1H3
InChIKeyKEVYBZUUXKWFPN-UHFFFAOYSA-N
MW289.42 g/mol
LogP2.94
Rot. Bonds4

About 2-(2,4-difluorophenyl)-1-(1,4-dithian-2-yl)-N-methylethanamine

2-(2,4-difluorophenyl)-1-(1,4-dithian-2-yl)-N-methylethanamine (PubChem CID 79966643) has the molecular formula C13H17F2NS2 and a molecular weight of 289.42 g/mol. Its IUPAC name is 2-(2,4-difluorophenyl)-1-(1,4-dithian-2-yl)-N-methylethanamine.

Molecular Properties

Compound Name2-(2,4-difluorophenyl)-1-(1,4-dithian-2-yl)-N-methylethanamine
PubChem CID79966643
Molecular FormulaC13H17F2NS2
Molecular Weight289.42 g/mol
Exact Mass289.08
IUPAC Name2-(2,4-difluorophenyl)-1-(1,4-dithian-2-yl)-N-methylethanamine
SMILESCNC(Cc1ccc(F)cc1F)C1CSCCS1
InChIInChI=1S/C13H17F2NS2/c1-16-12(13-8-17-4-5-18-13)6-9-2-3-10(14)7-11(9)15/h2-3,7,12-13,16H,4-6,8H2,1H3
InChIKeyKEVYBZUUXKWFPN-UHFFFAOYSA-N
XLogP2.94
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1,4-dithian-2-yl)-2-(5-fluoro-2-methylphenyl)-N-methylethanamine
CID 105374162
1-(1,4-dithian-2-yl)-N-methyl-2-(2-methylphenyl)ethanamine
CID 79966538
1-(2,4-difluorophenyl)-1-(1,4-dithian-2-yl)-N-methylmethanamine
CID 79966631
2-(2-chloro-4-fluorophenyl)-1-(1,4-dithian-2-yl)-N-ethylethanamine
CID 79965359
1-(1,4-dithian-2-yl)-2-(2-fluoro-3-methoxyphenyl)-N-methylethanamine
CID 104794154
1-cyclopropyl-2-(2,4-difluorophenyl)-N-methylethanamine
CID 62196245
1-cyclobutyl-2-(2,4-difluorophenyl)-N-methylethanamine
CID 64986277
1-(1,4-dithian-2-yl)-N-methyl-2-(2,4,6-trimethylphenyl)ethanamine
CID 79966252
2-(4-bromo-2-fluorophenyl)-N-methyl-1-(thian-2-yl)ethanamine
CID 80627565
2-(2,4-difluorophenyl)-N-methyl-1-(oxan-4-yl)ethanamine
CID 64561011
2-(2-bromo-4-fluorophenyl)-1-(1,4-dithian-2-yl)ethanol
CID 79971539
4-[2-(1,4-dithian-2-yl)-2-(methylamino)ethyl]pyridin-2-amine
CID 79966342

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-difluorophenyl)-1-(1,4-dithian-2-yl)-N-methylethanamine?
The IUPAC name of 2-(2,4-difluorophenyl)-1-(1,4-dithian-2-yl)-N-methylethanamine (CID 79966643) is 2-(2,4-difluorophenyl)-1-(1,4-dithian-2-yl)-N-methylethanamine.
What is the SMILES notation for 2-(2,4-difluorophenyl)-1-(1,4-dithian-2-yl)-N-methylethanamine?
The canonical SMILES for 2-(2,4-difluorophenyl)-1-(1,4-dithian-2-yl)-N-methylethanamine is CNC(Cc1ccc(F)cc1F)C1CSCCS1.
What is the InChIKey of 2-(2,4-difluorophenyl)-1-(1,4-dithian-2-yl)-N-methylethanamine?
The InChIKey is KEVYBZUUXKWFPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F2NS2/c1-16-12(13-8-17-4-5-18-13)6-9-2-3-10(14)7-11(9)15/h2-3,7,12-13,16H,4-6,8H2,1H3.
What are the key properties of 2-(2,4-difluorophenyl)-1-(1,4-dithian-2-yl)-N-methylethanamine?
2-(2,4-difluorophenyl)-1-(1,4-dithian-2-yl)-N-methylethanamine has a molecular weight of 289.42 g/mol, XLogP of 2.94, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-difluorophenyl)-1-(1,4-dithian-2-yl)-N-methylethanamine is sourced from PubChem (CID 79966643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).