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

C9H10BrNS — CID 83912845

IUPAC(5-bromo-2,3-dihydro-1-benzothiophen-3-yl)methanamine
SMILESNCC1CSc2ccc(Br)cc21
InChIInChI=1S/C9H10BrNS/c10-7-1-2-9-8(3-7)6(4-11)5-12-9/h1-3,6H,4-5,11H2
InChIKeyVFHUIVQYWMGXHH-UHFFFAOYSA-N
MW244.16 g/mol
LogP2.60
Rot. Bonds1

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

(5-bromo-2,3-dihydro-1-benzothiophen-3-yl)methanamine (PubChem CID 83912845) has the molecular formula C9H10BrNS and a molecular weight of 244.16 g/mol. Its IUPAC name is (5-bromo-2,3-dihydro-1-benzothiophen-3-yl)methanamine.

Molecular Properties

Compound Name(5-bromo-2,3-dihydro-1-benzothiophen-3-yl)methanamine
PubChem CID83912845
Molecular FormulaC9H10BrNS
Molecular Weight244.16 g/mol
Exact Mass242.97
IUPAC Name(5-bromo-2,3-dihydro-1-benzothiophen-3-yl)methanamine
SMILESNCC1CSc2ccc(Br)cc21
InChIInChI=1S/C9H10BrNS/c10-7-1-2-9-8(3-7)6(4-11)5-12-9/h1-3,6H,4-5,11H2
InChIKeyVFHUIVQYWMGXHH-UHFFFAOYSA-N
XLogP2.60
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.16
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-bromo-2,3-dihydro-1-benzothiophen-3-yl)-N-methylpropan-2-amine
CID 117202068
4-amino-6-bromo-3,4-dihydro-2H-thiochromen-3-ol
CID 130137643
5-bromo-2,3-dihydro-1-benzothiophene-3-carboxylic acid
CID 83913289
[5-bromo-2-(2,3-dihydro-1-benzothiophen-3-ylmethoxy)phenyl]methanamine
CID 79223776
6-bromo-3,4-dihydro-2H-thiochromen-3-amine
CID 53408397
(6-bromo-2,3-dihydro-1H-indol-3-yl)methanamine
CID 82276709
2-(7-bromo-3,4-dihydro-2H-1,4-benzothiazin-3-yl)ethanamine
CID 84641786
3-[(5-bromo-2-chlorophenoxy)methyl]-2,3-dihydro-1-benzothiophene
CID 79220792
5-bromo-2-chloro-N-(2,3-dihydro-1-benzothiophen-3-ylmethyl)aniline
CID 79220622
(6-bromo-1-methyl-3,4-dihydro-2H-quinolin-4-yl)methanamine
CID 82623345
(8-bromo-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)methanamine
CID 82245482
(7-bromo-1,2,3,4-tetrahydroquinolin-4-yl)methanamine
CID 83672603

Frequently Asked Questions

What is the IUPAC name of (5-bromo-2,3-dihydro-1-benzothiophen-3-yl)methanamine?
The IUPAC name of (5-bromo-2,3-dihydro-1-benzothiophen-3-yl)methanamine (CID 83912845) is (5-bromo-2,3-dihydro-1-benzothiophen-3-yl)methanamine.
What is the SMILES notation for (5-bromo-2,3-dihydro-1-benzothiophen-3-yl)methanamine?
The canonical SMILES for (5-bromo-2,3-dihydro-1-benzothiophen-3-yl)methanamine is NCC1CSc2ccc(Br)cc21.
What is the InChIKey of (5-bromo-2,3-dihydro-1-benzothiophen-3-yl)methanamine?
The InChIKey is VFHUIVQYWMGXHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrNS/c10-7-1-2-9-8(3-7)6(4-11)5-12-9/h1-3,6H,4-5,11H2.
What are the key properties of (5-bromo-2,3-dihydro-1-benzothiophen-3-yl)methanamine?
(5-bromo-2,3-dihydro-1-benzothiophen-3-yl)methanamine has a molecular weight of 244.16 g/mol, XLogP of 2.60, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-2,3-dihydro-1-benzothiophen-3-yl)methanamine is sourced from PubChem (CID 83912845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).