(5-bromo-1-benzothiophen-2-yl)methanamine;hydrochloride

C9H9BrClNS — CID 122405068

IUPAC(5-bromo-1-benzothiophen-2-yl)methanamine;hydrochloride
SMILESCl.NCc1cc2cc(Br)ccc2s1
InChIInChI=1S/C9H8BrNS.ClH/c10-7-1-2-9-6(3-7)4-8(5-11)12-9;/h1-4H,5,11H2;1H
InChIKeyNNHPUBVZECJWGU-UHFFFAOYSA-N
MW278.60 g/mol
LogP3.54
Rot. Bonds1

About (5-bromo-1-benzothiophen-2-yl)methanamine;hydrochloride

(5-bromo-1-benzothiophen-2-yl)methanamine;hydrochloride (PubChem CID 122405068) has the molecular formula C9H9BrClNS and a molecular weight of 278.60 g/mol. Its IUPAC name is (5-bromo-1-benzothiophen-2-yl)methanamine;hydrochloride.

Molecular Properties

Compound Name(5-bromo-1-benzothiophen-2-yl)methanamine;hydrochloride
PubChem CID122405068
Molecular FormulaC9H9BrClNS
Molecular Weight278.60 g/mol
Exact Mass276.93
IUPAC Name(5-bromo-1-benzothiophen-2-yl)methanamine;hydrochloride
SMILESCl.NCc1cc2cc(Br)ccc2s1
InChIInChI=1S/C9H8BrNS.ClH/c10-7-1-2-9-6(3-7)4-8(5-11)12-9;/h1-4H,5,11H2;1H
InChIKeyNNHPUBVZECJWGU-UHFFFAOYSA-N
XLogP3.54
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.60
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5-bromo-1-benzothiophen-2-yl)methanamine;hydrochloride?
The IUPAC name of (5-bromo-1-benzothiophen-2-yl)methanamine;hydrochloride (CID 122405068) is (5-bromo-1-benzothiophen-2-yl)methanamine;hydrochloride.
What is the SMILES notation for (5-bromo-1-benzothiophen-2-yl)methanamine;hydrochloride?
The canonical SMILES for (5-bromo-1-benzothiophen-2-yl)methanamine;hydrochloride is Cl.NCc1cc2cc(Br)ccc2s1.
What is the InChIKey of (5-bromo-1-benzothiophen-2-yl)methanamine;hydrochloride?
The InChIKey is NNHPUBVZECJWGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8BrNS.ClH/c10-7-1-2-9-6(3-7)4-8(5-11)12-9;/h1-4H,5,11H2;1H.
What are the key properties of (5-bromo-1-benzothiophen-2-yl)methanamine;hydrochloride?
(5-bromo-1-benzothiophen-2-yl)methanamine;hydrochloride has a molecular weight of 278.60 g/mol, XLogP of 3.54, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-1-benzothiophen-2-yl)methanamine;hydrochloride is sourced from PubChem (CID 122405068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).