2-(3-bromophenyl)sulfanyl-1-(4-chloro-3-methoxyphenyl)ethanamine

C15H15BrClNOS — CID 79699921

IUPAC2-(3-bromophenyl)sulfanyl-1-(4-chloro-3-methoxyphenyl)ethanamine
SMILESCOc1cc(C(N)CSc2cccc(Br)c2)ccc1Cl
InChIInChI=1S/C15H15BrClNOS/c1-19-15-7-10(5-6-13(15)17)14(18)9-20-12-4-2-3-11(16)8-12/h2-8,14H,9,18H2,1H3
InChIKeyAEOYCCYYEZZDQM-UHFFFAOYSA-N
MW372.72 g/mol
LogP4.90
Rot. Bonds5

About 2-(3-bromophenyl)sulfanyl-1-(4-chloro-3-methoxyphenyl)ethanamine

2-(3-bromophenyl)sulfanyl-1-(4-chloro-3-methoxyphenyl)ethanamine (PubChem CID 79699921) has the molecular formula C15H15BrClNOS and a molecular weight of 372.72 g/mol. Its IUPAC name is 2-(3-bromophenyl)sulfanyl-1-(4-chloro-3-methoxyphenyl)ethanamine.

Molecular Properties

Compound Name2-(3-bromophenyl)sulfanyl-1-(4-chloro-3-methoxyphenyl)ethanamine
PubChem CID79699921
Molecular FormulaC15H15BrClNOS
Molecular Weight372.72 g/mol
Exact Mass370.97
IUPAC Name2-(3-bromophenyl)sulfanyl-1-(4-chloro-3-methoxyphenyl)ethanamine
SMILESCOc1cc(C(N)CSc2cccc(Br)c2)ccc1Cl
InChIInChI=1S/C15H15BrClNOS/c1-19-15-7-10(5-6-13(15)17)14(18)9-20-12-4-2-3-11(16)8-12/h2-8,14H,9,18H2,1H3
InChIKeyAEOYCCYYEZZDQM-UHFFFAOYSA-N
XLogP4.90
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.72
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-bromophenyl)sulfanyl-1-(2,5-dichlorophenyl)ethanamine
CID 66159806
2-(3-bromophenyl)sulfanyl-1-(3,4-difluorophenyl)ethanamine
CID 66160196
1-(3-fluoro-4-methoxyphenyl)-2-(3-fluorophenyl)sulfanylethanamine
CID 66072105
2-(3-bromophenyl)sulfanyl-1-(4-methoxy-1-propylpyrazol-5-yl)ethanamine
CID 114656350
(1S)-1-(4-chloro-3-methoxyphenyl)propane-1,3-diamine;hydrochloride
CID 171230706
2-(3-bromophenyl)sulfanyl-1-(4-chloro-1-methylpyrazol-5-yl)ethanamine
CID 114656341
1-(4-chloro-3-methoxyphenyl)-2-phenylethanamine
CID 79701061
1-(4-chloro-3-methoxyphenyl)-2-(2-chlorophenyl)ethanamine
CID 79698284
2-(3-bromophenyl)sulfanyl-1-(furan-3-yl)ethanamine
CID 66160002
2-(2,6-dichlorophenyl)-1-(3,4-dimethoxyphenyl)ethanamine
CID 62606810
2-(3-bromophenyl)sulfanyl-1-(2,6-difluorophenyl)ethanamine
CID 66161377
(1R)-1-(4-chloro-3-methoxyphenyl)butane-1,4-diamine;hydrochloride
CID 171211107

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenyl)sulfanyl-1-(4-chloro-3-methoxyphenyl)ethanamine?
The IUPAC name of 2-(3-bromophenyl)sulfanyl-1-(4-chloro-3-methoxyphenyl)ethanamine (CID 79699921) is 2-(3-bromophenyl)sulfanyl-1-(4-chloro-3-methoxyphenyl)ethanamine.
What is the SMILES notation for 2-(3-bromophenyl)sulfanyl-1-(4-chloro-3-methoxyphenyl)ethanamine?
The canonical SMILES for 2-(3-bromophenyl)sulfanyl-1-(4-chloro-3-methoxyphenyl)ethanamine is COc1cc(C(N)CSc2cccc(Br)c2)ccc1Cl.
What is the InChIKey of 2-(3-bromophenyl)sulfanyl-1-(4-chloro-3-methoxyphenyl)ethanamine?
The InChIKey is AEOYCCYYEZZDQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrClNOS/c1-19-15-7-10(5-6-13(15)17)14(18)9-20-12-4-2-3-11(16)8-12/h2-8,14H,9,18H2,1H3.
What are the key properties of 2-(3-bromophenyl)sulfanyl-1-(4-chloro-3-methoxyphenyl)ethanamine?
2-(3-bromophenyl)sulfanyl-1-(4-chloro-3-methoxyphenyl)ethanamine has a molecular weight of 372.72 g/mol, XLogP of 4.90, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenyl)sulfanyl-1-(4-chloro-3-methoxyphenyl)ethanamine is sourced from PubChem (CID 79699921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).