1-(5,6-dimethyl-1,4-dithian-2-yl)-2-(4-fluoro-2-methylphenyl)ethanamine

C15H22FNS2 — CID 103345688

IUPAC1-(5,6-dimethyl-1,4-dithian-2-yl)-2-(4-fluoro-2-methylphenyl)ethanamine
SMILESCc1cc(F)ccc1CC(N)C1CSC(C)C(C)S1
InChIInChI=1S/C15H22FNS2/c1-9-6-13(16)5-4-12(9)7-14(17)15-8-18-10(2)11(3)19-15/h4-6,10-11,14-15H,7-8,17H2,1-3H3
InChIKeyVDUQGEPCXQUTFU-UHFFFAOYSA-N
MW299.48 g/mol
LogP3.63
Rot. Bonds3

About 1-(5,6-dimethyl-1,4-dithian-2-yl)-2-(4-fluoro-2-methylphenyl)ethanamine

1-(5,6-dimethyl-1,4-dithian-2-yl)-2-(4-fluoro-2-methylphenyl)ethanamine (PubChem CID 103345688) has the molecular formula C15H22FNS2 and a molecular weight of 299.48 g/mol. Its IUPAC name is 1-(5,6-dimethyl-1,4-dithian-2-yl)-2-(4-fluoro-2-methylphenyl)ethanamine.

Molecular Properties

Compound Name1-(5,6-dimethyl-1,4-dithian-2-yl)-2-(4-fluoro-2-methylphenyl)ethanamine
PubChem CID103345688
Molecular FormulaC15H22FNS2
Molecular Weight299.48 g/mol
Exact Mass299.12
IUPAC Name1-(5,6-dimethyl-1,4-dithian-2-yl)-2-(4-fluoro-2-methylphenyl)ethanamine
SMILESCc1cc(F)ccc1CC(N)C1CSC(C)C(C)S1
InChIInChI=1S/C15H22FNS2/c1-9-6-13(16)5-4-12(9)7-14(17)15-8-18-10(2)11(3)19-15/h4-6,10-11,14-15H,7-8,17H2,1-3H3
InChIKeyVDUQGEPCXQUTFU-UHFFFAOYSA-N
XLogP3.63
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 ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-chloro-4-fluorophenyl)-1-(5,6-dimethyl-1,4-dithian-2-yl)ethanamine
CID 103345372
1-cyclopropyl-2-(4-fluoro-2-methylphenyl)ethanamine
CID 114347649
2-(2-bromo-4-fluorophenyl)-1-(5,6-dimethyl-1,4-dithian-2-yl)ethanol
CID 103345313
(1R)-1-(5,6-dimethyl-1,4-dithian-2-yl)propan-1-amine
CID 103347015
1-(4,4-difluorocyclohexyl)-2-(4-fluoro-2-methylphenyl)ethanamine
CID 105188329
2-amino-3-(4-fluoro-2-methylphenyl)propan-1-ol
CID 115649532
2-(2-bromo-4-fluorophenyl)-1-(thian-2-yl)ethanamine
CID 80626889
1,2-bis(4-fluoro-2-methylphenyl)ethanamine
CID 114348216
1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-(4-fluoro-2-methylphenyl)ethanamine
CID 105050976
2-(4-fluoro-2-methylphenyl)-1-(1-methylcyclopropyl)ethanamine
CID 114348186
(5,6-dimethyl-1,4-dithian-2-yl)-(4-fluoro-3-methylphenyl)methanol
CID 103345091
5-(4-fluoro-2-methylphenyl)-4-methylpentan-2-amine
CID 114349415

Frequently Asked Questions

What is the IUPAC name of 1-(5,6-dimethyl-1,4-dithian-2-yl)-2-(4-fluoro-2-methylphenyl)ethanamine?
The IUPAC name of 1-(5,6-dimethyl-1,4-dithian-2-yl)-2-(4-fluoro-2-methylphenyl)ethanamine (CID 103345688) is 1-(5,6-dimethyl-1,4-dithian-2-yl)-2-(4-fluoro-2-methylphenyl)ethanamine.
What is the SMILES notation for 1-(5,6-dimethyl-1,4-dithian-2-yl)-2-(4-fluoro-2-methylphenyl)ethanamine?
The canonical SMILES for 1-(5,6-dimethyl-1,4-dithian-2-yl)-2-(4-fluoro-2-methylphenyl)ethanamine is Cc1cc(F)ccc1CC(N)C1CSC(C)C(C)S1.
What is the InChIKey of 1-(5,6-dimethyl-1,4-dithian-2-yl)-2-(4-fluoro-2-methylphenyl)ethanamine?
The InChIKey is VDUQGEPCXQUTFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FNS2/c1-9-6-13(16)5-4-12(9)7-14(17)15-8-18-10(2)11(3)19-15/h4-6,10-11,14-15H,7-8,17H2,1-3H3.
What are the key properties of 1-(5,6-dimethyl-1,4-dithian-2-yl)-2-(4-fluoro-2-methylphenyl)ethanamine?
1-(5,6-dimethyl-1,4-dithian-2-yl)-2-(4-fluoro-2-methylphenyl)ethanamine has a molecular weight of 299.48 g/mol, XLogP of 3.63, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5,6-dimethyl-1,4-dithian-2-yl)-2-(4-fluoro-2-methylphenyl)ethanamine is sourced from PubChem (CID 103345688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).