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

C11H14BrNS — CID 117201027

IUPAC3-(5-bromo-2,3-dihydro-1-benzothiophen-2-yl)propan-1-amine
SMILESNCCCC1Cc2cc(Br)ccc2S1
InChIInChI=1S/C11H14BrNS/c12-9-3-4-11-8(6-9)7-10(14-11)2-1-5-13/h3-4,6,10H,1-2,5,7,13H2
InChIKeyRSWONLQBGRHQAF-UHFFFAOYSA-N
MW272.21 g/mol
LogP3.20
Rot. Bonds3

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

3-(5-bromo-2,3-dihydro-1-benzothiophen-2-yl)propan-1-amine (PubChem CID 117201027) has the molecular formula C11H14BrNS and a molecular weight of 272.21 g/mol. Its IUPAC name is 3-(5-bromo-2,3-dihydro-1-benzothiophen-2-yl)propan-1-amine.

Molecular Properties

Compound Name3-(5-bromo-2,3-dihydro-1-benzothiophen-2-yl)propan-1-amine
PubChem CID117201027
Molecular FormulaC11H14BrNS
Molecular Weight272.21 g/mol
Exact Mass271.00
IUPAC Name3-(5-bromo-2,3-dihydro-1-benzothiophen-2-yl)propan-1-amine
SMILESNCCCC1Cc2cc(Br)ccc2S1
InChIInChI=1S/C11H14BrNS/c12-9-3-4-11-8(6-9)7-10(14-11)2-1-5-13/h3-4,6,10H,1-2,5,7,13H2
InChIKeyRSWONLQBGRHQAF-UHFFFAOYSA-N
XLogP3.20
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.21
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-aminopropyl)-2,3-dihydro-1-benzothiophen-5-ol
CID 117201381
6-bromo-3,4-dihydro-2H-thiochromen-3-amine
CID 53408397
1-(5-bromo-2,3-dihydro-1-benzothiophen-2-yl)ethanamine
CID 117201009
3-(4-chloro-2,3-dihydro-1-benzothiophen-2-yl)propan-1-amine
CID 117198579
3-(5-bromo-1-propan-2-yl-2,3-dihydroindol-2-yl)propan-1-amine
CID 117201227
N-methyl-3-[5-(trifluoromethyl)-2,3-dihydro-1-benzothiophen-2-yl]propan-1-amine
CID 117200613
4-bromo-2-chloro-N-(2,3-dihydro-1-benzothiophen-2-ylmethyl)aniline
CID 79213452
N'-(2,3-dihydro-1-benzothiophen-2-ylmethyl)propane-1,3-diamine
CID 79221945
3-(5-hydroxy-2,3-dihydro-1-benzothiophen-2-yl)propanoic acid
CID 117201392
2-(7-bromo-3,4-dihydro-2H-1,4-benzothiazin-3-yl)ethanamine
CID 84641786
ethane;2-ethyl-5-methyl-2,3-dihydro-1-benzothiophene
CID 142072053
(5-bromo-2,3-dihydro-1-benzothiophen-3-yl)methanamine
CID 83912845

Frequently Asked Questions

What is the IUPAC name of 3-(5-bromo-2,3-dihydro-1-benzothiophen-2-yl)propan-1-amine?
The IUPAC name of 3-(5-bromo-2,3-dihydro-1-benzothiophen-2-yl)propan-1-amine (CID 117201027) is 3-(5-bromo-2,3-dihydro-1-benzothiophen-2-yl)propan-1-amine.
What is the SMILES notation for 3-(5-bromo-2,3-dihydro-1-benzothiophen-2-yl)propan-1-amine?
The canonical SMILES for 3-(5-bromo-2,3-dihydro-1-benzothiophen-2-yl)propan-1-amine is NCCCC1Cc2cc(Br)ccc2S1.
What is the InChIKey of 3-(5-bromo-2,3-dihydro-1-benzothiophen-2-yl)propan-1-amine?
The InChIKey is RSWONLQBGRHQAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrNS/c12-9-3-4-11-8(6-9)7-10(14-11)2-1-5-13/h3-4,6,10H,1-2,5,7,13H2.
What are the key properties of 3-(5-bromo-2,3-dihydro-1-benzothiophen-2-yl)propan-1-amine?
3-(5-bromo-2,3-dihydro-1-benzothiophen-2-yl)propan-1-amine has a molecular weight of 272.21 g/mol, XLogP of 3.20, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-bromo-2,3-dihydro-1-benzothiophen-2-yl)propan-1-amine is sourced from PubChem (CID 117201027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).