2-(4-ethylphenyl)-1-(3-methyl-1,4-dithian-2-yl)ethanamine

C15H23NS2 — CID 115386577

IUPAC2-(4-ethylphenyl)-1-(3-methyl-1,4-dithian-2-yl)ethanamine
SMILESCCc1ccc(CC(N)C2SCCSC2C)cc1
InChIInChI=1S/C15H23NS2/c1-3-12-4-6-13(7-5-12)10-14(16)15-11(2)17-8-9-18-15/h4-7,11,14-15H,3,8-10,16H2,1-2H3
InChIKeyCOKPRTKRBCKRMD-UHFFFAOYSA-N
MW281.49 g/mol
LogP3.36
Rot. Bonds4

About 2-(4-ethylphenyl)-1-(3-methyl-1,4-dithian-2-yl)ethanamine

2-(4-ethylphenyl)-1-(3-methyl-1,4-dithian-2-yl)ethanamine (PubChem CID 115386577) has the molecular formula C15H23NS2 and a molecular weight of 281.49 g/mol. Its IUPAC name is 2-(4-ethylphenyl)-1-(3-methyl-1,4-dithian-2-yl)ethanamine.

Molecular Properties

Compound Name2-(4-ethylphenyl)-1-(3-methyl-1,4-dithian-2-yl)ethanamine
PubChem CID115386577
Molecular FormulaC15H23NS2
Molecular Weight281.49 g/mol
Exact Mass281.13
IUPAC Name2-(4-ethylphenyl)-1-(3-methyl-1,4-dithian-2-yl)ethanamine
SMILESCCc1ccc(CC(N)C2SCCSC2C)cc1
InChIInChI=1S/C15H23NS2/c1-3-12-4-6-13(7-5-12)10-14(16)15-11(2)17-8-9-18-15/h4-7,11,14-15H,3,8-10,16H2,1-2H3
InChIKeyCOKPRTKRBCKRMD-UHFFFAOYSA-N
XLogP3.36
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.49
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-fluorophenyl)-1-(3-methyl-1,4-dithian-2-yl)ethanamine
CID 115386594
1-(3-methyl-1,4-dithian-2-yl)-2-phenylethanamine
CID 115386572
2-(4-ethylphenyl)-1-(thian-2-yl)ethanamine
CID 80626451
(3-ethylphenyl)-(3-methyl-1,4-dithian-2-yl)methanamine
CID 113299524
1-(3-methyl-1,4-dithian-2-yl)-2-(1,3-thiazol-2-yl)ethanamine
CID 115386560
2-(5-bromo-2-pyridinyl)-1-(3-methyl-1,4-dithian-2-yl)ethanamine
CID 104803700
3-ethyl-1-(3-methyl-1,4-dithian-2-yl)pentan-1-amine
CID 82922480
1-(3-methyl-1,4-dithian-2-yl)-3-thiophen-3-ylpropan-1-amine
CID 115386725
1-(3-ethyl-1,4-dithian-2-yl)-2-pyridin-3-ylethanamine
CID 104736697
2-(4-ethylphenyl)-1-(3-methylcyclohexyl)ethanamine
CID 55188328
2-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-1-(3-methyl-1,4-dithian-2-yl)ethanamine
CID 115386676
(3-methyl-1,4-dithian-2-yl)-(6-methyl-3-pyridinyl)methanamine
CID 115386698

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylphenyl)-1-(3-methyl-1,4-dithian-2-yl)ethanamine?
The IUPAC name of 2-(4-ethylphenyl)-1-(3-methyl-1,4-dithian-2-yl)ethanamine (CID 115386577) is 2-(4-ethylphenyl)-1-(3-methyl-1,4-dithian-2-yl)ethanamine.
What is the SMILES notation for 2-(4-ethylphenyl)-1-(3-methyl-1,4-dithian-2-yl)ethanamine?
The canonical SMILES for 2-(4-ethylphenyl)-1-(3-methyl-1,4-dithian-2-yl)ethanamine is CCc1ccc(CC(N)C2SCCSC2C)cc1.
What is the InChIKey of 2-(4-ethylphenyl)-1-(3-methyl-1,4-dithian-2-yl)ethanamine?
The InChIKey is COKPRTKRBCKRMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NS2/c1-3-12-4-6-13(7-5-12)10-14(16)15-11(2)17-8-9-18-15/h4-7,11,14-15H,3,8-10,16H2,1-2H3.
What are the key properties of 2-(4-ethylphenyl)-1-(3-methyl-1,4-dithian-2-yl)ethanamine?
2-(4-ethylphenyl)-1-(3-methyl-1,4-dithian-2-yl)ethanamine has a molecular weight of 281.49 g/mol, XLogP of 3.36, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylphenyl)-1-(3-methyl-1,4-dithian-2-yl)ethanamine is sourced from PubChem (CID 115386577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).