(3-ethyl-1,4-dithian-2-yl)-(2-fluoro-4,6-dimethylphenyl)methanamine

C15H22FNS2 — CID 106881896

IUPAC(3-ethyl-1,4-dithian-2-yl)-(2-fluoro-4,6-dimethylphenyl)methanamine
SMILESCCC1SCCSC1C(N)c1c(C)cc(C)cc1F
InChIInChI=1S/C15H22FNS2/c1-4-12-15(19-6-5-18-12)14(17)13-10(3)7-9(2)8-11(13)16/h7-8,12,14-15H,4-6,17H2,1-3H3
InChIKeyGCFPTLRAOFBVRE-UHFFFAOYSA-N
MW299.48 g/mol
LogP4.07
Rot. Bonds3

About (3-ethyl-1,4-dithian-2-yl)-(2-fluoro-4,6-dimethylphenyl)methanamine

(3-ethyl-1,4-dithian-2-yl)-(2-fluoro-4,6-dimethylphenyl)methanamine (PubChem CID 106881896) has the molecular formula C15H22FNS2 and a molecular weight of 299.48 g/mol. Its IUPAC name is (3-ethyl-1,4-dithian-2-yl)-(2-fluoro-4,6-dimethylphenyl)methanamine.

Molecular Properties

Compound Name(3-ethyl-1,4-dithian-2-yl)-(2-fluoro-4,6-dimethylphenyl)methanamine
PubChem CID106881896
Molecular FormulaC15H22FNS2
Molecular Weight299.48 g/mol
Exact Mass299.12
IUPAC Name(3-ethyl-1,4-dithian-2-yl)-(2-fluoro-4,6-dimethylphenyl)methanamine
SMILESCCC1SCCSC1C(N)c1c(C)cc(C)cc1F
InChIInChI=1S/C15H22FNS2/c1-4-12-15(19-6-5-18-12)14(17)13-10(3)7-9(2)8-11(13)16/h7-8,12,14-15H,4-6,17H2,1-3H3
InChIKeyGCFPTLRAOFBVRE-UHFFFAOYSA-N
XLogP4.07
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.48
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (3-ethyl-1,4-dithian-2-yl)-(2-fluoro-4,6-dimethylphenyl)methanamine with MolForge

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Related Compounds

(3-ethyl-1,4-dithian-2-yl)-(3-fluoro-4-methylphenyl)methanamine
CID 107129073
(3-ethyl-1,4-dithian-2-yl)-(4-fluoro-2-methylphenyl)methanamine
CID 113299684
(3-ethyl-1,4-dithian-2-yl)-(4-methylphenyl)methanamine
CID 115387500
(4-chloro-2-fluorophenyl)-(3-ethyl-1,4-dithian-2-yl)methanamine
CID 115387570
(3-ethyl-1,4-dithian-2-yl)-(3-methylphenyl)methanamine
CID 113299656
(3-ethylcyclopentyl)-(2-fluoro-4,6-dimethylphenyl)methanamine
CID 106881656
(3-ethyl-1,4-dithian-2-yl)-(3-methylthiophen-2-yl)methanamine
CID 115387497
(2-fluoro-4,6-dimethylphenyl)-(1,4-oxathian-2-yl)methanamine
CID 106881803
(2-fluoro-4,6-dimethylphenyl)-(2-methylcyclopropyl)methanamine
CID 106881667
(3-ethyl-1,4-dithian-2-yl)-(2-methylthiophen-3-yl)methanamine
CID 102833588
(1,4-dimethylpyrazol-5-yl)-(3-ethyl-1,4-dithian-2-yl)methanamine
CID 112742343
1-adamantyl-(2-fluoro-4,6-dimethylphenyl)methanamine
CID 106881477

Frequently Asked Questions

What is the IUPAC name of (3-ethyl-1,4-dithian-2-yl)-(2-fluoro-4,6-dimethylphenyl)methanamine?
The IUPAC name of (3-ethyl-1,4-dithian-2-yl)-(2-fluoro-4,6-dimethylphenyl)methanamine (CID 106881896) is (3-ethyl-1,4-dithian-2-yl)-(2-fluoro-4,6-dimethylphenyl)methanamine.
What is the SMILES notation for (3-ethyl-1,4-dithian-2-yl)-(2-fluoro-4,6-dimethylphenyl)methanamine?
The canonical SMILES for (3-ethyl-1,4-dithian-2-yl)-(2-fluoro-4,6-dimethylphenyl)methanamine is CCC1SCCSC1C(N)c1c(C)cc(C)cc1F.
What is the InChIKey of (3-ethyl-1,4-dithian-2-yl)-(2-fluoro-4,6-dimethylphenyl)methanamine?
The InChIKey is GCFPTLRAOFBVRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FNS2/c1-4-12-15(19-6-5-18-12)14(17)13-10(3)7-9(2)8-11(13)16/h7-8,12,14-15H,4-6,17H2,1-3H3.
What are the key properties of (3-ethyl-1,4-dithian-2-yl)-(2-fluoro-4,6-dimethylphenyl)methanamine?
(3-ethyl-1,4-dithian-2-yl)-(2-fluoro-4,6-dimethylphenyl)methanamine has a molecular weight of 299.48 g/mol, XLogP of 4.07, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethyl-1,4-dithian-2-yl)-(2-fluoro-4,6-dimethylphenyl)methanamine is sourced from PubChem (CID 106881896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).