2-(3-bromo-4-fluorophenyl)-1-(4-methylsulfanylphenyl)ethanamine

C15H15BrFNS — CID 115818932

IUPAC2-(3-bromo-4-fluorophenyl)-1-(4-methylsulfanylphenyl)ethanamine
SMILESCSc1ccc(C(N)Cc2ccc(F)c(Br)c2)cc1
InChIInChI=1S/C15H15BrFNS/c1-19-12-5-3-11(4-6-12)15(18)9-10-2-7-14(17)13(16)8-10/h2-8,15H,9,18H2,1H3
InChIKeyGMXQGCLOOJLPFZ-UHFFFAOYSA-N
MW340.26 g/mol
LogP4.55
Rot. Bonds4

About 2-(3-bromo-4-fluorophenyl)-1-(4-methylsulfanylphenyl)ethanamine

2-(3-bromo-4-fluorophenyl)-1-(4-methylsulfanylphenyl)ethanamine (PubChem CID 115818932) has the molecular formula C15H15BrFNS and a molecular weight of 340.26 g/mol. Its IUPAC name is 2-(3-bromo-4-fluorophenyl)-1-(4-methylsulfanylphenyl)ethanamine.

Molecular Properties

Compound Name2-(3-bromo-4-fluorophenyl)-1-(4-methylsulfanylphenyl)ethanamine
PubChem CID115818932
Molecular FormulaC15H15BrFNS
Molecular Weight340.26 g/mol
Exact Mass339.01
IUPAC Name2-(3-bromo-4-fluorophenyl)-1-(4-methylsulfanylphenyl)ethanamine
SMILESCSc1ccc(C(N)Cc2ccc(F)c(Br)c2)cc1
InChIInChI=1S/C15H15BrFNS/c1-19-12-5-3-11(4-6-12)15(18)9-10-2-7-14(17)13(16)8-10/h2-8,15H,9,18H2,1H3
InChIKeyGMXQGCLOOJLPFZ-UHFFFAOYSA-N
XLogP4.55
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.26
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-bromo-4-fluorophenyl)-1-(4-methylphenyl)ethanamine
CID 54971855
2-(4-chlorophenyl)-1-(4-methylsulfanylphenyl)ethanamine
CID 79217380
1-(3-bromo-4-chlorophenyl)-2-(3-bromo-4-fluorophenyl)ethanamine
CID 115566630
2-(3-bromo-4-fluorophenyl)-1-(4-bromo-3-methylphenyl)ethanamine
CID 115818982
2-(3-bromo-4-fluorophenyl)-N-ethyl-1-(4-methylsulfanylphenyl)ethanamine
CID 115818820
2-(3-bromo-4-fluorophenyl)-1-pyrimidin-5-ylethanamine
CID 102923307
2-(3-fluoro-4-methoxyphenyl)-1-(4-methylsulfanylphenyl)ethanamine
CID 115829883
2-(3-fluorophenyl)-1-(4-methylsulfanylphenyl)ethanamine
CID 79217792
2-(3-bromo-4-fluorophenyl)-1-(2-methylsulfanylphenyl)ethanamine
CID 115819033
2-(3-bromo-4-fluorophenyl)-1-naphthalen-2-ylethanamine
CID 63416624
2-(3,5-dimethylphenyl)-1-(4-methylsulfanylphenyl)ethanamine
CID 115800677
2-(4-iodophenyl)-1-(4-methylsulfanylphenyl)ethanamine
CID 115864349

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-4-fluorophenyl)-1-(4-methylsulfanylphenyl)ethanamine?
The IUPAC name of 2-(3-bromo-4-fluorophenyl)-1-(4-methylsulfanylphenyl)ethanamine (CID 115818932) is 2-(3-bromo-4-fluorophenyl)-1-(4-methylsulfanylphenyl)ethanamine.
What is the SMILES notation for 2-(3-bromo-4-fluorophenyl)-1-(4-methylsulfanylphenyl)ethanamine?
The canonical SMILES for 2-(3-bromo-4-fluorophenyl)-1-(4-methylsulfanylphenyl)ethanamine is CSc1ccc(C(N)Cc2ccc(F)c(Br)c2)cc1.
What is the InChIKey of 2-(3-bromo-4-fluorophenyl)-1-(4-methylsulfanylphenyl)ethanamine?
The InChIKey is GMXQGCLOOJLPFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrFNS/c1-19-12-5-3-11(4-6-12)15(18)9-10-2-7-14(17)13(16)8-10/h2-8,15H,9,18H2,1H3.
What are the key properties of 2-(3-bromo-4-fluorophenyl)-1-(4-methylsulfanylphenyl)ethanamine?
2-(3-bromo-4-fluorophenyl)-1-(4-methylsulfanylphenyl)ethanamine has a molecular weight of 340.26 g/mol, XLogP of 4.55, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-4-fluorophenyl)-1-(4-methylsulfanylphenyl)ethanamine is sourced from PubChem (CID 115818932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).