2-(2,5-dimethylphenyl)sulfanyl-1-(2-methoxyphenyl)ethanamine

C17H21NOS — CID 64648241

IUPAC2-(2,5-dimethylphenyl)sulfanyl-1-(2-methoxyphenyl)ethanamine
SMILESCOc1ccccc1C(N)CSc1cc(C)ccc1C
InChIInChI=1S/C17H21NOS/c1-12-8-9-13(2)17(10-12)20-11-15(18)14-6-4-5-7-16(14)19-3/h4-10,15H,11,18H2,1-3H3
InChIKeyAFDWEEFLOYKQNF-UHFFFAOYSA-N
MW287.43 g/mol
LogP4.10
Rot. Bonds5

About 2-(2,5-dimethylphenyl)sulfanyl-1-(2-methoxyphenyl)ethanamine

2-(2,5-dimethylphenyl)sulfanyl-1-(2-methoxyphenyl)ethanamine (PubChem CID 64648241) has the molecular formula C17H21NOS and a molecular weight of 287.43 g/mol. Its IUPAC name is 2-(2,5-dimethylphenyl)sulfanyl-1-(2-methoxyphenyl)ethanamine.

Molecular Properties

Compound Name2-(2,5-dimethylphenyl)sulfanyl-1-(2-methoxyphenyl)ethanamine
PubChem CID64648241
Molecular FormulaC17H21NOS
Molecular Weight287.43 g/mol
Exact Mass287.13
IUPAC Name2-(2,5-dimethylphenyl)sulfanyl-1-(2-methoxyphenyl)ethanamine
SMILESCOc1ccccc1C(N)CSc1cc(C)ccc1C
InChIInChI=1S/C17H21NOS/c1-12-8-9-13(2)17(10-12)20-11-15(18)14-6-4-5-7-16(14)19-3/h4-10,15H,11,18H2,1-3H3
InChIKeyAFDWEEFLOYKQNF-UHFFFAOYSA-N
XLogP4.10
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.43
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,5-dimethylphenyl)sulfanyl-1-(2-methoxy-5-methylphenyl)ethanamine
CID 64650203
1-(2-methoxy-5-methylphenyl)-2-(2-methylphenyl)sulfanylethanamine
CID 64649874
2-(2,5-dimethylphenyl)sulfanyl-1-phenylethanamine
CID 55241118
2-(3-fluorophenyl)sulfanyl-1-(2-methoxyphenyl)ethanamine
CID 66072926
1-(5-fluoro-2-methoxyphenyl)-2-(3-methylphenyl)sulfanylethanamine
CID 82770281
1-(2-methoxyphenyl)-2-pyrimidin-2-ylsulfanylethanamine
CID 64649620
1-(2-methoxy-5-methylphenyl)-2-[(2-methylphenyl)methylsulfanyl]ethanamine
CID 64634603
1-(2-methoxy-5-methylphenyl)-N-methyl-2-(2-methylphenyl)sulfanylethanamine
CID 64650228
2-(2,5-dimethylphenyl)sulfanyl-1-(3-fluorophenyl)ethanamine
CID 107524758
1-(2-methoxyphenyl)-2-pyridin-2-ylsulfanylethanamine
CID 64649689
2-(4-chlorophenyl)sulfanyl-1-(2-methoxy-5-methylphenyl)ethanamine
CID 64622119
1-(2-methoxyphenyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanamine
CID 64647920

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethylphenyl)sulfanyl-1-(2-methoxyphenyl)ethanamine?
The IUPAC name of 2-(2,5-dimethylphenyl)sulfanyl-1-(2-methoxyphenyl)ethanamine (CID 64648241) is 2-(2,5-dimethylphenyl)sulfanyl-1-(2-methoxyphenyl)ethanamine.
What is the SMILES notation for 2-(2,5-dimethylphenyl)sulfanyl-1-(2-methoxyphenyl)ethanamine?
The canonical SMILES for 2-(2,5-dimethylphenyl)sulfanyl-1-(2-methoxyphenyl)ethanamine is COc1ccccc1C(N)CSc1cc(C)ccc1C.
What is the InChIKey of 2-(2,5-dimethylphenyl)sulfanyl-1-(2-methoxyphenyl)ethanamine?
The InChIKey is AFDWEEFLOYKQNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NOS/c1-12-8-9-13(2)17(10-12)20-11-15(18)14-6-4-5-7-16(14)19-3/h4-10,15H,11,18H2,1-3H3.
What are the key properties of 2-(2,5-dimethylphenyl)sulfanyl-1-(2-methoxyphenyl)ethanamine?
2-(2,5-dimethylphenyl)sulfanyl-1-(2-methoxyphenyl)ethanamine has a molecular weight of 287.43 g/mol, XLogP of 4.10, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethylphenyl)sulfanyl-1-(2-methoxyphenyl)ethanamine is sourced from PubChem (CID 64648241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).