2-(5-bromothiophen-2-yl)-2-[(4-chlorophenyl)methylsulfanyl]ethanamine

C13H13BrClNS2 — CID 114790395

IUPAC2-(5-bromothiophen-2-yl)-2-[(4-chlorophenyl)methylsulfanyl]ethanamine
SMILESNCC(SCc1ccc(Cl)cc1)c1ccc(Br)s1
InChIInChI=1S/C13H13BrClNS2/c14-13-6-5-11(18-13)12(7-16)17-8-9-1-3-10(15)4-2-9/h1-6,12H,7-8,16H2
InChIKeyGLIXKGXXPBRXEW-UHFFFAOYSA-N
MW362.75 g/mol
LogP5.10
Rot. Bonds5

About 2-(5-bromothiophen-2-yl)-2-[(4-chlorophenyl)methylsulfanyl]ethanamine

2-(5-bromothiophen-2-yl)-2-[(4-chlorophenyl)methylsulfanyl]ethanamine (PubChem CID 114790395) has the molecular formula C13H13BrClNS2 and a molecular weight of 362.75 g/mol. Its IUPAC name is 2-(5-bromothiophen-2-yl)-2-[(4-chlorophenyl)methylsulfanyl]ethanamine.

Molecular Properties

Compound Name2-(5-bromothiophen-2-yl)-2-[(4-chlorophenyl)methylsulfanyl]ethanamine
PubChem CID114790395
Molecular FormulaC13H13BrClNS2
Molecular Weight362.75 g/mol
Exact Mass360.94
IUPAC Name2-(5-bromothiophen-2-yl)-2-[(4-chlorophenyl)methylsulfanyl]ethanamine
SMILESNCC(SCc1ccc(Cl)cc1)c1ccc(Br)s1
InChIInChI=1S/C13H13BrClNS2/c14-13-6-5-11(18-13)12(7-16)17-8-9-1-3-10(15)4-2-9/h1-6,12H,7-8,16H2
InChIKeyGLIXKGXXPBRXEW-UHFFFAOYSA-N
XLogP5.10
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.75
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-bromothiophen-2-yl)-2-(4-chlorophenyl)ethanamine
CID 61079625
2-(5-bromothiophen-2-yl)-2-(2-methylfuran-3-yl)sulfanylethanamine
CID 107779881
2-(5-bromothiophen-2-yl)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)ethanamine
CID 115478346
1-(5-bromothiophen-2-yl)-N-(3-chlorophenyl)ethane-1,2-diamine
CID 65385499
N-[1-(5-bromothiophen-2-yl)ethyl]-1-(4-chlorophenyl)propan-1-amine
CID 63431288
2-(5-bromothiophen-2-yl)-3-fluoropropan-1-amine
CID 83824574
1-(5-bromothiophen-2-yl)-2-(3,4-dichlorophenyl)ethanamine
CID 55148283
3-[2-amino-1-(5-chlorothiophen-2-yl)ethyl]sulfanylpropan-1-ol
CID 66115413
2-(5-bromothiophen-2-yl)-1-(4-chlorophenyl)ethanamine
CID 62607913
1-(5-bromothiophen-2-yl)-2-(3-chlorophenyl)ethanamine
CID 62504605
(2-bromo-4-chlorophenyl)-(5-bromothiophen-2-yl)methanamine
CID 107987471
(1S)-1-(5-bromothiophen-2-yl)butane-1,4-diamine;hydrochloride
CID 171222508

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromothiophen-2-yl)-2-[(4-chlorophenyl)methylsulfanyl]ethanamine?
The IUPAC name of 2-(5-bromothiophen-2-yl)-2-[(4-chlorophenyl)methylsulfanyl]ethanamine (CID 114790395) is 2-(5-bromothiophen-2-yl)-2-[(4-chlorophenyl)methylsulfanyl]ethanamine.
What is the SMILES notation for 2-(5-bromothiophen-2-yl)-2-[(4-chlorophenyl)methylsulfanyl]ethanamine?
The canonical SMILES for 2-(5-bromothiophen-2-yl)-2-[(4-chlorophenyl)methylsulfanyl]ethanamine is NCC(SCc1ccc(Cl)cc1)c1ccc(Br)s1.
What is the InChIKey of 2-(5-bromothiophen-2-yl)-2-[(4-chlorophenyl)methylsulfanyl]ethanamine?
The InChIKey is GLIXKGXXPBRXEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrClNS2/c14-13-6-5-11(18-13)12(7-16)17-8-9-1-3-10(15)4-2-9/h1-6,12H,7-8,16H2.
What are the key properties of 2-(5-bromothiophen-2-yl)-2-[(4-chlorophenyl)methylsulfanyl]ethanamine?
2-(5-bromothiophen-2-yl)-2-[(4-chlorophenyl)methylsulfanyl]ethanamine has a molecular weight of 362.75 g/mol, XLogP of 5.10, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromothiophen-2-yl)-2-[(4-chlorophenyl)methylsulfanyl]ethanamine is sourced from PubChem (CID 114790395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).