1-(3-ethyl-1,4-dithian-2-yl)-1-(4-fluorophenyl)-N-methylmethanamine

C14H20FNS2 — CID 113299723

IUPAC1-(3-ethyl-1,4-dithian-2-yl)-1-(4-fluorophenyl)-N-methylmethanamine
SMILESCCC1SCCSC1C(NC)c1ccc(F)cc1
InChIInChI=1S/C14H20FNS2/c1-3-12-14(18-9-8-17-12)13(16-2)10-4-6-11(15)7-5-10/h4-7,12-14,16H,3,8-9H2,1-2H3
InChIKeyCADILICJHYIOIS-UHFFFAOYSA-N
MW285.45 g/mol
LogP3.71
Rot. Bonds4

About 1-(3-ethyl-1,4-dithian-2-yl)-1-(4-fluorophenyl)-N-methylmethanamine

1-(3-ethyl-1,4-dithian-2-yl)-1-(4-fluorophenyl)-N-methylmethanamine (PubChem CID 113299723) has the molecular formula C14H20FNS2 and a molecular weight of 285.45 g/mol. Its IUPAC name is 1-(3-ethyl-1,4-dithian-2-yl)-1-(4-fluorophenyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(3-ethyl-1,4-dithian-2-yl)-1-(4-fluorophenyl)-N-methylmethanamine
PubChem CID113299723
Molecular FormulaC14H20FNS2
Molecular Weight285.45 g/mol
Exact Mass285.10
IUPAC Name1-(3-ethyl-1,4-dithian-2-yl)-1-(4-fluorophenyl)-N-methylmethanamine
SMILESCCC1SCCSC1C(NC)c1ccc(F)cc1
InChIInChI=1S/C14H20FNS2/c1-3-12-14(18-9-8-17-12)13(16-2)10-4-6-11(15)7-5-10/h4-7,12-14,16H,3,8-9H2,1-2H3
InChIKeyCADILICJHYIOIS-UHFFFAOYSA-N
XLogP3.71
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.45
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3-ethyl-1,4-dithian-2-yl)-(4-fluorophenyl)methanol
CID 115386459
1-(3,4-dimethoxyphenyl)-1-(3-ethyl-1,4-dithian-2-yl)-N-methylmethanamine
CID 115387707
1-(3-ethyl-1,4-dithian-2-yl)-N-methyl-1-(2,3,4-trifluorophenyl)methanamine
CID 115387823
N-[(3-ethyl-1,4-dithian-2-yl)-(4-propan-2-ylphenyl)methyl]ethanamine
CID 115387979
1-(3-ethyl-1,4-dithian-2-yl)-N-methyl-1-(1-methylpyrazol-4-yl)methanamine
CID 113299695
1-(3-bromo-2-fluorophenyl)-1-(3-ethyl-1,4-dithian-2-yl)-N-methylmethanamine
CID 106645999
1-(4-bromo-3-chloro-2-fluorophenyl)-1-(3-ethyl-1,4-dithian-2-yl)-N-methylmethanamine
CID 106762881
[(4-tert-butylphenyl)-(3-ethyl-1,4-dithian-2-yl)methyl]hydrazine
CID 105260045
1-(3-ethyl-1,4-dithian-2-yl)-1-(2-fluoro-4-methoxyphenyl)-N-methylmethanamine
CID 103395776
N-[(3-ethyl-1,4-dithian-2-yl)-(5-fluoro-2-methylphenyl)methyl]propan-1-amine
CID 115388258
1-(3-ethyl-1,4-dithian-2-yl)-2-(3-fluorophenyl)-N-methylethanamine
CID 115387815
1-(4-bromothiophen-3-yl)-1-(3-ethyl-1,4-dithian-2-yl)-N-methylmethanamine
CID 113299693

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethyl-1,4-dithian-2-yl)-1-(4-fluorophenyl)-N-methylmethanamine?
The IUPAC name of 1-(3-ethyl-1,4-dithian-2-yl)-1-(4-fluorophenyl)-N-methylmethanamine (CID 113299723) is 1-(3-ethyl-1,4-dithian-2-yl)-1-(4-fluorophenyl)-N-methylmethanamine.
What is the SMILES notation for 1-(3-ethyl-1,4-dithian-2-yl)-1-(4-fluorophenyl)-N-methylmethanamine?
The canonical SMILES for 1-(3-ethyl-1,4-dithian-2-yl)-1-(4-fluorophenyl)-N-methylmethanamine is CCC1SCCSC1C(NC)c1ccc(F)cc1.
What is the InChIKey of 1-(3-ethyl-1,4-dithian-2-yl)-1-(4-fluorophenyl)-N-methylmethanamine?
The InChIKey is CADILICJHYIOIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNS2/c1-3-12-14(18-9-8-17-12)13(16-2)10-4-6-11(15)7-5-10/h4-7,12-14,16H,3,8-9H2,1-2H3.
What are the key properties of 1-(3-ethyl-1,4-dithian-2-yl)-1-(4-fluorophenyl)-N-methylmethanamine?
1-(3-ethyl-1,4-dithian-2-yl)-1-(4-fluorophenyl)-N-methylmethanamine has a molecular weight of 285.45 g/mol, XLogP of 3.71, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethyl-1,4-dithian-2-yl)-1-(4-fluorophenyl)-N-methylmethanamine is sourced from PubChem (CID 113299723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).