1-(5-bromo-2,3-dihydro-1-benzothiophen-2-yl)ethanamine

C10H12BrNS — CID 117201009

IUPAC1-(5-bromo-2,3-dihydro-1-benzothiophen-2-yl)ethanamine
SMILESCC(N)C1Cc2cc(Br)ccc2S1
InChIInChI=1S/C10H12BrNS/c1-6(12)10-5-7-4-8(11)2-3-9(7)13-10/h2-4,6,10H,5,12H2,1H3
InChIKeyLDLMQZVXJIZFBZ-UHFFFAOYSA-N
MW258.18 g/mol
LogP2.81
Rot. Bonds1

About 1-(5-bromo-2,3-dihydro-1-benzothiophen-2-yl)ethanamine

1-(5-bromo-2,3-dihydro-1-benzothiophen-2-yl)ethanamine (PubChem CID 117201009) has the molecular formula C10H12BrNS and a molecular weight of 258.18 g/mol. Its IUPAC name is 1-(5-bromo-2,3-dihydro-1-benzothiophen-2-yl)ethanamine.

Molecular Properties

Compound Name1-(5-bromo-2,3-dihydro-1-benzothiophen-2-yl)ethanamine
PubChem CID117201009
Molecular FormulaC10H12BrNS
Molecular Weight258.18 g/mol
Exact Mass256.99
IUPAC Name1-(5-bromo-2,3-dihydro-1-benzothiophen-2-yl)ethanamine
SMILESCC(N)C1Cc2cc(Br)ccc2S1
InChIInChI=1S/C10H12BrNS/c1-6(12)10-5-7-4-8(11)2-3-9(7)13-10/h2-4,6,10H,5,12H2,1H3
InChIKeyLDLMQZVXJIZFBZ-UHFFFAOYSA-N
XLogP2.81
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.18
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-chloro-2,3-dihydro-1-benzothiophen-2-yl)ethanamine
CID 117201005
6-bromo-3,4-dihydro-2H-thiochromen-3-amine
CID 53408397
3-(5-bromo-2,3-dihydro-1-benzothiophen-2-yl)propan-1-amine
CID 117201027
6-bromo-3-methyl-3,4-dihydro-2H-1,2-benzothiazine
CID 122538323
2-(5-hydroxy-2,3-dihydro-1-benzothiophen-2-yl)propanoic acid
CID 117201387
1-(6-bromo-3,4-dihydro-2H-chromen-3-yl)ethanamine
CID 165461235
1-(4-methyl-2,3-dihydro-1-benzothiophen-2-yl)ethanamine
CID 117198270
7-bromo-4-methyl-2,3,4,5-tetrahydro-1,2-benzothiazepine
CID 118170492
1-[1-(2-methyl-2,3-dihydro-1-benzothiophen-5-yl)cyclopropyl]ethanamine
CID 117339455
(5-bromo-2-fluorophenyl)-(2,3-dihydro-1-benzothiophen-2-yl)methanol
CID 105113739
(1S)-1-[5-bromo-2-(2,3-dihydro-1-benzothiophen-2-ylmethoxy)phenyl]ethanamine
CID 79212649
1-(5-bromo-1-ethyl-2,3-dihydroindol-2-yl)propan-2-amine
CID 117201212

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2,3-dihydro-1-benzothiophen-2-yl)ethanamine?
The IUPAC name of 1-(5-bromo-2,3-dihydro-1-benzothiophen-2-yl)ethanamine (CID 117201009) is 1-(5-bromo-2,3-dihydro-1-benzothiophen-2-yl)ethanamine.
What is the SMILES notation for 1-(5-bromo-2,3-dihydro-1-benzothiophen-2-yl)ethanamine?
The canonical SMILES for 1-(5-bromo-2,3-dihydro-1-benzothiophen-2-yl)ethanamine is CC(N)C1Cc2cc(Br)ccc2S1.
What is the InChIKey of 1-(5-bromo-2,3-dihydro-1-benzothiophen-2-yl)ethanamine?
The InChIKey is LDLMQZVXJIZFBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrNS/c1-6(12)10-5-7-4-8(11)2-3-9(7)13-10/h2-4,6,10H,5,12H2,1H3.
What are the key properties of 1-(5-bromo-2,3-dihydro-1-benzothiophen-2-yl)ethanamine?
1-(5-bromo-2,3-dihydro-1-benzothiophen-2-yl)ethanamine has a molecular weight of 258.18 g/mol, XLogP of 2.81, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2,3-dihydro-1-benzothiophen-2-yl)ethanamine is sourced from PubChem (CID 117201009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).