1-[4-bromo-2-(2-methylsulfanylphenoxy)phenyl]ethanamine

C15H16BrNOS — CID 82975446

IUPAC1-[4-bromo-2-(2-methylsulfanylphenoxy)phenyl]ethanamine
SMILESCSc1ccccc1Oc1cc(Br)ccc1C(C)N
InChIInChI=1S/C15H16BrNOS/c1-10(17)12-8-7-11(16)9-14(12)18-13-5-3-4-6-15(13)19-2/h3-10H,17H2,1-2H3
InChIKeyXFPCTFABZZMKHD-UHFFFAOYSA-N
MW338.27 g/mol
LogP4.98
Rot. Bonds4

About 1-[4-bromo-2-(2-methylsulfanylphenoxy)phenyl]ethanamine

1-[4-bromo-2-(2-methylsulfanylphenoxy)phenyl]ethanamine (PubChem CID 82975446) has the molecular formula C15H16BrNOS and a molecular weight of 338.27 g/mol. Its IUPAC name is 1-[4-bromo-2-(2-methylsulfanylphenoxy)phenyl]ethanamine.

Molecular Properties

Compound Name1-[4-bromo-2-(2-methylsulfanylphenoxy)phenyl]ethanamine
PubChem CID82975446
Molecular FormulaC15H16BrNOS
Molecular Weight338.27 g/mol
Exact Mass337.01
IUPAC Name1-[4-bromo-2-(2-methylsulfanylphenoxy)phenyl]ethanamine
SMILESCSc1ccccc1Oc1cc(Br)ccc1C(C)N
InChIInChI=1S/C15H16BrNOS/c1-10(17)12-8-7-11(16)9-14(12)18-13-5-3-4-6-15(13)19-2/h3-10H,17H2,1-2H3
InChIKeyXFPCTFABZZMKHD-UHFFFAOYSA-N
XLogP4.98
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.27
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[4-bromo-2-(2-methylsulfanylphenoxy)phenyl]ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[4-bromo-2-(2-methylphenoxy)phenyl]ethanamine
CID 82976080
1-[4-bromo-2-(2-chlorophenoxy)phenyl]ethanamine
CID 82976219
1-[4-bromo-2-(2-methylsulfanylphenoxy)phenyl]-N-ethylethanamine
CID 82953588
1-[5-fluoro-2-(2-methylsulfanylphenoxy)phenyl]ethanamine
CID 63649355
4-bromo-2-(bromomethyl)-1-(2-methylsulfanylphenoxy)benzene
CID 114061682
1-[4-bromo-2-(5-bromo-2,3-difluorophenoxy)phenyl]ethanamine
CID 107099987
1-[5-bromo-2-(2-propan-2-ylphenoxy)phenyl]ethanamine
CID 82976372
1-[4-bromo-2-[(2-fluorophenyl)methoxy]phenyl]ethanamine
CID 82975522
(1R)-1-(4-bromo-2-pentan-3-yloxyphenyl)ethanamine
CID 102946639
1-[4-bromo-2-(2-methylsulfanylethoxy)phenyl]ethanamine
CID 102946275
(1R)-1-[2-(2,5-dibromo-4-methoxyphenoxy)phenyl]ethanamine
CID 79403679
1-[4-bromo-2-(2-bromophenoxy)phenyl]ethanol
CID 82971318

Frequently Asked Questions

What is the IUPAC name of 1-[4-bromo-2-(2-methylsulfanylphenoxy)phenyl]ethanamine?
The IUPAC name of 1-[4-bromo-2-(2-methylsulfanylphenoxy)phenyl]ethanamine (CID 82975446) is 1-[4-bromo-2-(2-methylsulfanylphenoxy)phenyl]ethanamine.
What is the SMILES notation for 1-[4-bromo-2-(2-methylsulfanylphenoxy)phenyl]ethanamine?
The canonical SMILES for 1-[4-bromo-2-(2-methylsulfanylphenoxy)phenyl]ethanamine is CSc1ccccc1Oc1cc(Br)ccc1C(C)N.
What is the InChIKey of 1-[4-bromo-2-(2-methylsulfanylphenoxy)phenyl]ethanamine?
The InChIKey is XFPCTFABZZMKHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrNOS/c1-10(17)12-8-7-11(16)9-14(12)18-13-5-3-4-6-15(13)19-2/h3-10H,17H2,1-2H3.
What are the key properties of 1-[4-bromo-2-(2-methylsulfanylphenoxy)phenyl]ethanamine?
1-[4-bromo-2-(2-methylsulfanylphenoxy)phenyl]ethanamine has a molecular weight of 338.27 g/mol, XLogP of 4.98, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-bromo-2-(2-methylsulfanylphenoxy)phenyl]ethanamine is sourced from PubChem (CID 82975446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).