(5-bromo-1-benzothiophen-3-yl)methanamine

C9H8BrNS — CID 7537503

IUPAC(5-bromo-1-benzothiophen-3-yl)methanamine
SMILESNCc1csc2ccc(Br)cc12
InChIInChI=1S/C9H8BrNS/c10-7-1-2-9-8(3-7)6(4-11)5-12-9/h1-3,5H,4,11H2
InChIKeyDVYWOASQESEKEC-UHFFFAOYSA-N
MW242.14 g/mol
LogP3.12
Rot. Bonds1

About (5-bromo-1-benzothiophen-3-yl)methanamine

(5-bromo-1-benzothiophen-3-yl)methanamine (PubChem CID 7537503) has the molecular formula C9H8BrNS and a molecular weight of 242.14 g/mol. Its IUPAC name is (5-bromo-1-benzothiophen-3-yl)methanamine.

Molecular Properties

Compound Name(5-bromo-1-benzothiophen-3-yl)methanamine
PubChem CID7537503
Molecular FormulaC9H8BrNS
Molecular Weight242.14 g/mol
Exact Mass240.96
IUPAC Name(5-bromo-1-benzothiophen-3-yl)methanamine
SMILESNCc1csc2ccc(Br)cc12
InChIInChI=1S/C9H8BrNS/c10-7-1-2-9-8(3-7)6(4-11)5-12-9/h1-3,5H,4,11H2
InChIKeyDVYWOASQESEKEC-UHFFFAOYSA-N
XLogP3.12
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.14
LogP ≤ 53.12
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-3-yl)methanamine?
The IUPAC name of (5-bromo-1-benzothiophen-3-yl)methanamine (CID 7537503) is (5-bromo-1-benzothiophen-3-yl)methanamine.
What is the SMILES notation for (5-bromo-1-benzothiophen-3-yl)methanamine?
The canonical SMILES for (5-bromo-1-benzothiophen-3-yl)methanamine is NCc1csc2ccc(Br)cc12.
What is the InChIKey of (5-bromo-1-benzothiophen-3-yl)methanamine?
The InChIKey is DVYWOASQESEKEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8BrNS/c10-7-1-2-9-8(3-7)6(4-11)5-12-9/h1-3,5H,4,11H2.
What are the key properties of (5-bromo-1-benzothiophen-3-yl)methanamine?
(5-bromo-1-benzothiophen-3-yl)methanamine has a molecular weight of 242.14 g/mol, XLogP of 3.12, 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-3-yl)methanamine is sourced from PubChem (CID 7537503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).