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

C15H21F2NS2 — CID 115387174

IUPAC2-(2,3-difluorophenyl)-N-ethyl-1-(3-methyl-1,4-dithian-2-yl)ethanamine
SMILESCCNC(Cc1cccc(F)c1F)C1SCCSC1C
InChIInChI=1S/C15H21F2NS2/c1-3-18-13(15-10(2)19-7-8-20-15)9-11-5-4-6-12(16)14(11)17/h4-6,10,13,15,18H,3,7-9H2,1-2H3
InChIKeyNTKSPVWWESZDDY-UHFFFAOYSA-N
MW317.47 g/mol
LogP3.72
Rot. Bonds5

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

2-(2,3-difluorophenyl)-N-ethyl-1-(3-methyl-1,4-dithian-2-yl)ethanamine (PubChem CID 115387174) has the molecular formula C15H21F2NS2 and a molecular weight of 317.47 g/mol. Its IUPAC name is 2-(2,3-difluorophenyl)-N-ethyl-1-(3-methyl-1,4-dithian-2-yl)ethanamine.

Molecular Properties

Compound Name2-(2,3-difluorophenyl)-N-ethyl-1-(3-methyl-1,4-dithian-2-yl)ethanamine
PubChem CID115387174
Molecular FormulaC15H21F2NS2
Molecular Weight317.47 g/mol
Exact Mass317.11
IUPAC Name2-(2,3-difluorophenyl)-N-ethyl-1-(3-methyl-1,4-dithian-2-yl)ethanamine
SMILESCCNC(Cc1cccc(F)c1F)C1SCCSC1C
InChIInChI=1S/C15H21F2NS2/c1-3-18-13(15-10(2)19-7-8-20-15)9-11-5-4-6-12(16)14(11)17/h4-6,10,13,15,18H,3,7-9H2,1-2H3
InChIKeyNTKSPVWWESZDDY-UHFFFAOYSA-N
XLogP3.72
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.47
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,3-difluorophenyl)-N-methyl-1-(3-methyl-1,4-dithian-2-yl)ethanamine
CID 115386935
N-[2-(2-fluorophenyl)-1-(3-methyl-1,4-dithian-2-yl)ethyl]propan-1-amine
CID 115387355
[2-(2-bromo-3-fluorophenyl)-1-(3-methyl-1,4-dithian-2-yl)ethyl]hydrazine
CID 105259504
N-ethyl-2-(furan-2-yl)-1-(3-methyl-1,4-dithian-2-yl)ethanamine
CID 83183374
N-[2-(2-chloro-6-fluorophenyl)-1-(3-methyl-1,4-dithian-2-yl)ethyl]propan-1-amine
CID 115387328
N-ethyl-1-(3-methyl-1,4-dithian-2-yl)-3-phenylpropan-1-amine
CID 115387134
[2-(2,6-difluorophenyl)-1-(3-methyl-1,4-dithian-2-yl)ethyl]hydrazine
CID 105259734
N-ethyl-1-(3-methyl-1,4-dithian-2-yl)-2-pyridin-2-ylethanamine
CID 115387062
2-(2,3-difluorophenyl)-N-ethyl-1-(oxolan-3-yl)ethanamine
CID 65330197
2-(1,3-benzothiazol-2-yl)-N-ethyl-1-(3-methyl-1,4-dithian-2-yl)ethanamine
CID 115387042
N-[(7-fluoro-1-benzofuran-2-yl)-(3-methyl-1,4-dithian-2-yl)methyl]ethanamine
CID 114730541
2-(2,3-difluorophenyl)-1-(2,6-difluorophenyl)-N-ethylethanamine
CID 79517373

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-difluorophenyl)-N-ethyl-1-(3-methyl-1,4-dithian-2-yl)ethanamine?
The IUPAC name of 2-(2,3-difluorophenyl)-N-ethyl-1-(3-methyl-1,4-dithian-2-yl)ethanamine (CID 115387174) is 2-(2,3-difluorophenyl)-N-ethyl-1-(3-methyl-1,4-dithian-2-yl)ethanamine.
What is the SMILES notation for 2-(2,3-difluorophenyl)-N-ethyl-1-(3-methyl-1,4-dithian-2-yl)ethanamine?
The canonical SMILES for 2-(2,3-difluorophenyl)-N-ethyl-1-(3-methyl-1,4-dithian-2-yl)ethanamine is CCNC(Cc1cccc(F)c1F)C1SCCSC1C.
What is the InChIKey of 2-(2,3-difluorophenyl)-N-ethyl-1-(3-methyl-1,4-dithian-2-yl)ethanamine?
The InChIKey is NTKSPVWWESZDDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F2NS2/c1-3-18-13(15-10(2)19-7-8-20-15)9-11-5-4-6-12(16)14(11)17/h4-6,10,13,15,18H,3,7-9H2,1-2H3.
What are the key properties of 2-(2,3-difluorophenyl)-N-ethyl-1-(3-methyl-1,4-dithian-2-yl)ethanamine?
2-(2,3-difluorophenyl)-N-ethyl-1-(3-methyl-1,4-dithian-2-yl)ethanamine has a molecular weight of 317.47 g/mol, XLogP of 3.72, 5 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-ethyl-1-(3-methyl-1,4-dithian-2-yl)ethanamine is sourced from PubChem (CID 115387174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).