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

C9H8ClNS — CID 2798782

IUPAC(5-chloro-1-benzothiophen-3-yl)methanamine
SMILESNCc1csc2ccc(Cl)cc12
InChIInChI=1S/C9H8ClNS/c10-7-1-2-9-8(3-7)6(4-11)5-12-9/h1-3,5H,4,11H2
InChIKeyVRNXLYAXYIHHHH-UHFFFAOYSA-N
MW197.69 g/mol
LogP3.01
Rot. Bonds1

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

(5-chloro-1-benzothiophen-3-yl)methanamine (PubChem CID 2798782) has the molecular formula C9H8ClNS and a molecular weight of 197.69 g/mol. Its IUPAC name is (5-chloro-1-benzothiophen-3-yl)methanamine.

Molecular Properties

Compound Name(5-chloro-1-benzothiophen-3-yl)methanamine
PubChem CID2798782
Molecular FormulaC9H8ClNS
Molecular Weight197.69 g/mol
Exact Mass197.01
IUPAC Name(5-chloro-1-benzothiophen-3-yl)methanamine
SMILESNCc1csc2ccc(Cl)cc12
InChIInChI=1S/C9H8ClNS/c10-7-1-2-9-8(3-7)6(4-11)5-12-9/h1-3,5H,4,11H2
InChIKeyVRNXLYAXYIHHHH-UHFFFAOYSA-N
XLogP3.01
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.69
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Benzo(B)Thiophen-3-Ylmethylamine
CID 2776347
19404-18-3
CID 317317
2-(5-Chlorobenzo[b]thiophen-3-yl)acetonitrile
CID 2779861
N-[(5-chloro-1-benzothien-3-yl)methyl]sulfamide
CID 11572651
2-(5-chloro-2-phenyl-1-benzothiophen-3-yl)-N,N-dimethylethanamine
CID 12412170
Benzo(b)thiophene-3-ethylamine, hydrochloride
CID 209554
1-[(5-Chloro-1-benzothien-3-yl)methyl]piperidine
CID 15945612
1-[(5-Chloro-1-benzothien-3-yl)methyl]pyrrolidine
CID 816721
5-Chloro-1-benzothiophene-3-carbonitrile
CID 2776125
2-(5-Chloro-2-phenyl-1-benzothiophen-3-yl)ethanamine
CID 12412183
N-(1-benzothiophen-3-ylmethyl)-4-chlorobenzenesulfonamide
CID 141518718
(3-Chloro-1-benzothiophen-2-yl)methanamine
CID 17607365

Frequently Asked Questions

What is the IUPAC name of (5-chloro-1-benzothiophen-3-yl)methanamine?
The IUPAC name of (5-chloro-1-benzothiophen-3-yl)methanamine (CID 2798782) is (5-chloro-1-benzothiophen-3-yl)methanamine.
What is the SMILES notation for (5-chloro-1-benzothiophen-3-yl)methanamine?
The canonical SMILES for (5-chloro-1-benzothiophen-3-yl)methanamine is NCc1csc2ccc(Cl)cc12.
What is the InChIKey of (5-chloro-1-benzothiophen-3-yl)methanamine?
The InChIKey is VRNXLYAXYIHHHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClNS/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-chloro-1-benzothiophen-3-yl)methanamine?
(5-chloro-1-benzothiophen-3-yl)methanamine has a molecular weight of 197.69 g/mol, XLogP of 3.01, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-1-benzothiophen-3-yl)methanamine is sourced from PubChem (CID 2798782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).