1-[4-bromo-2-(3-bromophenyl)sulfanylphenyl]-N-methylethanamine

C15H15Br2NS — CID 82969698

IUPAC1-[4-bromo-2-(3-bromophenyl)sulfanylphenyl]-N-methylethanamine
SMILESCNC(C)c1ccc(Br)cc1Sc1cccc(Br)c1
InChIInChI=1S/C15H15Br2NS/c1-10(18-2)14-7-6-12(17)9-15(14)19-13-5-3-4-11(16)8-13/h3-10,18H,1-2H3
InChIKeyGEYASYAJIRHJTL-UHFFFAOYSA-N
MW401.17 g/mol
LogP5.64
Rot. Bonds4

About 1-[4-bromo-2-(3-bromophenyl)sulfanylphenyl]-N-methylethanamine

1-[4-bromo-2-(3-bromophenyl)sulfanylphenyl]-N-methylethanamine (PubChem CID 82969698) has the molecular formula C15H15Br2NS and a molecular weight of 401.17 g/mol. Its IUPAC name is 1-[4-bromo-2-(3-bromophenyl)sulfanylphenyl]-N-methylethanamine.

Molecular Properties

Compound Name1-[4-bromo-2-(3-bromophenyl)sulfanylphenyl]-N-methylethanamine
PubChem CID82969698
Molecular FormulaC15H15Br2NS
Molecular Weight401.17 g/mol
Exact Mass398.93
IUPAC Name1-[4-bromo-2-(3-bromophenyl)sulfanylphenyl]-N-methylethanamine
SMILESCNC(C)c1ccc(Br)cc1Sc1cccc(Br)c1
InChIInChI=1S/C15H15Br2NS/c1-10(18-2)14-7-6-12(17)9-15(14)19-13-5-3-4-11(16)8-13/h3-10,18H,1-2H3
InChIKeyGEYASYAJIRHJTL-UHFFFAOYSA-N
XLogP5.64
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.17
LogP ≤ 55.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-bromo-2-(3-methylphenyl)sulfanylphenyl]-N-methylethanamine
CID 82969145
1-[4-bromo-2-(2,4-difluorophenyl)sulfanylphenyl]-N-methylethanamine
CID 82969297
1-[4-bromo-2-(3-methylphenyl)sulfanylphenyl]ethanol
CID 82972642
1-[4-bromo-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]-N-methylethanamine
CID 82969452
N-[1-[5-bromo-2-(3-bromophenyl)sulfanylphenyl]ethyl]propan-1-amine
CID 82956925
1-[4-bromo-2-(2-methylbutylsulfanyl)phenyl]-N-methylethanamine
CID 107750855
2-[4-bromo-2-(3-bromophenyl)sulfanylphenyl]ethanamine
CID 63819028
1-[4-bromo-2-(7H-purin-6-ylsulfanyl)phenyl]-N-methylethanamine
CID 82954356
1-(4-bromo-2-pyridin-4-ylsulfanylphenyl)-N-ethylethanamine
CID 82969170
[5-bromo-2-[1-(methylamino)ethyl]phenyl]methanol
CID 84802533
4-(3-bromophenyl)sulfanyl-N-methylpentan-2-amine
CID 64704253
1-[3-bromo-4-(3-methylphenyl)sulfanylphenyl]-N-methylethanamine
CID 63534064

Frequently Asked Questions

What is the IUPAC name of 1-[4-bromo-2-(3-bromophenyl)sulfanylphenyl]-N-methylethanamine?
The IUPAC name of 1-[4-bromo-2-(3-bromophenyl)sulfanylphenyl]-N-methylethanamine (CID 82969698) is 1-[4-bromo-2-(3-bromophenyl)sulfanylphenyl]-N-methylethanamine.
What is the SMILES notation for 1-[4-bromo-2-(3-bromophenyl)sulfanylphenyl]-N-methylethanamine?
The canonical SMILES for 1-[4-bromo-2-(3-bromophenyl)sulfanylphenyl]-N-methylethanamine is CNC(C)c1ccc(Br)cc1Sc1cccc(Br)c1.
What is the InChIKey of 1-[4-bromo-2-(3-bromophenyl)sulfanylphenyl]-N-methylethanamine?
The InChIKey is GEYASYAJIRHJTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15Br2NS/c1-10(18-2)14-7-6-12(17)9-15(14)19-13-5-3-4-11(16)8-13/h3-10,18H,1-2H3.
What are the key properties of 1-[4-bromo-2-(3-bromophenyl)sulfanylphenyl]-N-methylethanamine?
1-[4-bromo-2-(3-bromophenyl)sulfanylphenyl]-N-methylethanamine has a molecular weight of 401.17 g/mol, XLogP of 5.64, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-bromo-2-(3-bromophenyl)sulfanylphenyl]-N-methylethanamine is sourced from PubChem (CID 82969698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).