5-[(3-bromothiophen-2-yl)methoxy]-2,3-dihydro-1H-inden-1-amine

C14H14BrNOS — CID 107683066

IUPAC5-[(3-bromothiophen-2-yl)methoxy]-2,3-dihydro-1H-inden-1-amine
SMILESNC1CCc2cc(OCc3sccc3Br)ccc21
InChIInChI=1S/C14H14BrNOS/c15-12-5-6-18-14(12)8-17-10-2-3-11-9(7-10)1-4-13(11)16/h2-3,5-7,13H,1,4,8,16H2
InChIKeyDSGVOQOMPIGVBJ-UHFFFAOYSA-N
MW324.24 g/mol
LogP4.04
Rot. Bonds3

About 5-[(3-bromothiophen-2-yl)methoxy]-2,3-dihydro-1H-inden-1-amine

5-[(3-bromothiophen-2-yl)methoxy]-2,3-dihydro-1H-inden-1-amine (PubChem CID 107683066) has the molecular formula C14H14BrNOS and a molecular weight of 324.24 g/mol. Its IUPAC name is 5-[(3-bromothiophen-2-yl)methoxy]-2,3-dihydro-1H-inden-1-amine.

Molecular Properties

Compound Name5-[(3-bromothiophen-2-yl)methoxy]-2,3-dihydro-1H-inden-1-amine
PubChem CID107683066
Molecular FormulaC14H14BrNOS
Molecular Weight324.24 g/mol
Exact Mass323.00
IUPAC Name5-[(3-bromothiophen-2-yl)methoxy]-2,3-dihydro-1H-inden-1-amine
SMILESNC1CCc2cc(OCc3sccc3Br)ccc21
InChIInChI=1S/C14H14BrNOS/c15-12-5-6-18-14(12)8-17-10-2-3-11-9(7-10)1-4-13(11)16/h2-3,5-7,13H,1,4,8,16H2
InChIKeyDSGVOQOMPIGVBJ-UHFFFAOYSA-N
XLogP4.04
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.24
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[(3-bromothiophen-2-yl)methoxy]-2,3-dihydro-1H-inden-1-amine?
The IUPAC name of 5-[(3-bromothiophen-2-yl)methoxy]-2,3-dihydro-1H-inden-1-amine (CID 107683066) is 5-[(3-bromothiophen-2-yl)methoxy]-2,3-dihydro-1H-inden-1-amine.
What is the SMILES notation for 5-[(3-bromothiophen-2-yl)methoxy]-2,3-dihydro-1H-inden-1-amine?
The canonical SMILES for 5-[(3-bromothiophen-2-yl)methoxy]-2,3-dihydro-1H-inden-1-amine is NC1CCc2cc(OCc3sccc3Br)ccc21.
What is the InChIKey of 5-[(3-bromothiophen-2-yl)methoxy]-2,3-dihydro-1H-inden-1-amine?
The InChIKey is DSGVOQOMPIGVBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrNOS/c15-12-5-6-18-14(12)8-17-10-2-3-11-9(7-10)1-4-13(11)16/h2-3,5-7,13H,1,4,8,16H2.
What are the key properties of 5-[(3-bromothiophen-2-yl)methoxy]-2,3-dihydro-1H-inden-1-amine?
5-[(3-bromothiophen-2-yl)methoxy]-2,3-dihydro-1H-inden-1-amine has a molecular weight of 324.24 g/mol, XLogP of 4.04, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-bromothiophen-2-yl)methoxy]-2,3-dihydro-1H-inden-1-amine is sourced from PubChem (CID 107683066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).