N-[(5-bromo-1-benzothiophen-3-yl)methyl]-N-ethylethanamine;hydrochloride

C13H17BrClNS — CID 11957130

IUPACN-[(5-bromo-1-benzothiophen-3-yl)methyl]-N-ethylethanamine;hydrochloride
SMILESCCN(CC)Cc1csc2ccc(Br)cc12.Cl
InChIInChI=1S/C13H16BrNS.ClH/c1-3-15(4-2)8-10-9-16-13-6-5-11(14)7-12(10)13;/h5-7,9H,3-4,8H2,1-2H3;1H
InChIKeyGCYXJSHHQGOWEG-UHFFFAOYSA-N
MW334.71 g/mol
LogP4.93
Rot. Bonds4

About N-[(5-bromo-1-benzothiophen-3-yl)methyl]-N-ethylethanamine;hydrochloride

N-[(5-bromo-1-benzothiophen-3-yl)methyl]-N-ethylethanamine;hydrochloride (PubChem CID 11957130) has the molecular formula C13H17BrClNS and a molecular weight of 334.71 g/mol. Its IUPAC name is N-[(5-bromo-1-benzothiophen-3-yl)methyl]-N-ethylethanamine;hydrochloride.

Molecular Properties

Compound NameN-[(5-bromo-1-benzothiophen-3-yl)methyl]-N-ethylethanamine;hydrochloride
PubChem CID11957130
Molecular FormulaC13H17BrClNS
Molecular Weight334.71 g/mol
Exact Mass333.00
IUPAC NameN-[(5-bromo-1-benzothiophen-3-yl)methyl]-N-ethylethanamine;hydrochloride
SMILESCCN(CC)Cc1csc2ccc(Br)cc12.Cl
InChIInChI=1S/C13H16BrNS.ClH/c1-3-15(4-2)8-10-9-16-13-6-5-11(14)7-12(10)13;/h5-7,9H,3-4,8H2,1-2H3;1H
InChIKeyGCYXJSHHQGOWEG-UHFFFAOYSA-N
XLogP4.93
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.71
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(5-Bromobenzo[b]thiophen-3-yl)methanamine
CID 7537503
Ethanol, 2-(N-((5-bromobenzo(b)thien-3-yl)methyl)-N-ethylamino)-, hydrochloride
CID 202061
2,6-Dimethyl-4-(p-bromophenyl)-4,5,6,7-tetrahydro-thieno[2,3-c]pyridine hydrochloride
CID 20546707
CID 15945777
CID 15945777
(5-Bromo-1-benzothiophen-2-YL)methanamine
CID 71043269
Benzo(b)thiophene-3-ethylamine, 5-bromo-, hydrochloride
CID 89947
Mitotenamine
CID 23793
2-[[(5-Bromo-1-benzothien-3-yl)methyl](methyl)amino]ethanol
CID 11948737
2-[(7-Bromo-1-benzothiophen-3-yl)methyl-ethylamino]ethanol;hydrochloride
CID 11957119
CID 11958376
CID 11958376
2-bromo-6-methyl-4-phenyl-5,7-dihydro-4H-thieno[2,3-c]pyridine;hydrochloride
CID 54583695
1-[1-[2-(3-bromophenyl)ethyl]piperidin-4-yl]-N-methyl-N-(thiophen-3-ylmethyl)methanamine
CID 168295323

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromo-1-benzothiophen-3-yl)methyl]-N-ethylethanamine;hydrochloride?
The IUPAC name of N-[(5-bromo-1-benzothiophen-3-yl)methyl]-N-ethylethanamine;hydrochloride (CID 11957130) is N-[(5-bromo-1-benzothiophen-3-yl)methyl]-N-ethylethanamine;hydrochloride.
What is the SMILES notation for N-[(5-bromo-1-benzothiophen-3-yl)methyl]-N-ethylethanamine;hydrochloride?
The canonical SMILES for N-[(5-bromo-1-benzothiophen-3-yl)methyl]-N-ethylethanamine;hydrochloride is CCN(CC)Cc1csc2ccc(Br)cc12.Cl.
What is the InChIKey of N-[(5-bromo-1-benzothiophen-3-yl)methyl]-N-ethylethanamine;hydrochloride?
The InChIKey is GCYXJSHHQGOWEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrNS.ClH/c1-3-15(4-2)8-10-9-16-13-6-5-11(14)7-12(10)13;/h5-7,9H,3-4,8H2,1-2H3;1H.
What are the key properties of N-[(5-bromo-1-benzothiophen-3-yl)methyl]-N-ethylethanamine;hydrochloride?
N-[(5-bromo-1-benzothiophen-3-yl)methyl]-N-ethylethanamine;hydrochloride has a molecular weight of 334.71 g/mol, XLogP of 4.93, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromo-1-benzothiophen-3-yl)methyl]-N-ethylethanamine;hydrochloride is sourced from PubChem (CID 11957130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).