2-(4-bromophenyl)-2-(2-methylsulfanylphenoxy)ethanamine

C15H16BrNOS — CID 63647284

IUPAC2-(4-bromophenyl)-2-(2-methylsulfanylphenoxy)ethanamine
SMILESCSc1ccccc1OC(CN)c1ccc(Br)cc1
InChIInChI=1S/C15H16BrNOS/c1-19-15-5-3-2-4-13(15)18-14(10-17)11-6-8-12(16)9-7-11/h2-9,14H,10,17H2,1H3
InChIKeyPTOWEOOMLGIEKM-UHFFFAOYSA-N
MW338.27 g/mol
LogP4.25
Rot. Bonds5

About 2-(4-bromophenyl)-2-(2-methylsulfanylphenoxy)ethanamine

2-(4-bromophenyl)-2-(2-methylsulfanylphenoxy)ethanamine (PubChem CID 63647284) has the molecular formula C15H16BrNOS and a molecular weight of 338.27 g/mol. Its IUPAC name is 2-(4-bromophenyl)-2-(2-methylsulfanylphenoxy)ethanamine.

Molecular Properties

Compound Name2-(4-bromophenyl)-2-(2-methylsulfanylphenoxy)ethanamine
PubChem CID63647284
Molecular FormulaC15H16BrNOS
Molecular Weight338.27 g/mol
Exact Mass337.01
IUPAC Name2-(4-bromophenyl)-2-(2-methylsulfanylphenoxy)ethanamine
SMILESCSc1ccccc1OC(CN)c1ccc(Br)cc1
InChIInChI=1S/C15H16BrNOS/c1-19-15-5-3-2-4-13(15)18-14(10-17)11-6-8-12(16)9-7-11/h2-9,14H,10,17H2,1H3
InChIKeyPTOWEOOMLGIEKM-UHFFFAOYSA-N
XLogP4.25
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.27
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-methoxyphenyl)-2-(2-methylsulfanylphenoxy)ethanamine
CID 63648144
2-(4-bromophenyl)-2-(3-chloro-2-fluorophenoxy)ethanamine
CID 116688749
2-(4-bromo-2-methylphenoxy)-2-(4-bromophenyl)ethanamine
CID 55191488
2-(2-methylsulfanylphenoxy)propan-1-amine
CID 63648328
2-(4-bromophenoxy)-2-(4-bromophenyl)ethanamine
CID 55016034
2-(5-bromo-2-fluorophenoxy)-2-(4-fluorophenyl)ethanamine
CID 114671834
2-(2-fluoro-3-methylphenoxy)-2-(4-fluorophenyl)ethanamine
CID 107656314
2-phenyl-2-(2-propan-2-ylphenoxy)ethanamine
CID 55017685
N-[2-(2-methylsulfanylphenoxy)-2-phenylethyl]propan-1-amine
CID 63647905
2-(2-iodophenoxy)-2-phenylethanamine
CID 55017639
4-bromo-N-[2-(2-methylsulfanylphenoxy)ethyl]aniline
CID 63648942
2-(4-bromophenyl)-4-(2-methoxyphenoxy)butan-1-amine
CID 79429853

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-2-(2-methylsulfanylphenoxy)ethanamine?
The IUPAC name of 2-(4-bromophenyl)-2-(2-methylsulfanylphenoxy)ethanamine (CID 63647284) is 2-(4-bromophenyl)-2-(2-methylsulfanylphenoxy)ethanamine.
What is the SMILES notation for 2-(4-bromophenyl)-2-(2-methylsulfanylphenoxy)ethanamine?
The canonical SMILES for 2-(4-bromophenyl)-2-(2-methylsulfanylphenoxy)ethanamine is CSc1ccccc1OC(CN)c1ccc(Br)cc1.
What is the InChIKey of 2-(4-bromophenyl)-2-(2-methylsulfanylphenoxy)ethanamine?
The InChIKey is PTOWEOOMLGIEKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrNOS/c1-19-15-5-3-2-4-13(15)18-14(10-17)11-6-8-12(16)9-7-11/h2-9,14H,10,17H2,1H3.
What are the key properties of 2-(4-bromophenyl)-2-(2-methylsulfanylphenoxy)ethanamine?
2-(4-bromophenyl)-2-(2-methylsulfanylphenoxy)ethanamine has a molecular weight of 338.27 g/mol, XLogP of 4.25, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-2-(2-methylsulfanylphenoxy)ethanamine is sourced from PubChem (CID 63647284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).