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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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).