1-[(4-bromothiophen-2-yl)methyl]-2,3-dihydroinden-1-amine

C14H14BrNS — CID 55096011

IUPAC1-[(4-bromothiophen-2-yl)methyl]-2,3-dihydroinden-1-amine
SMILESNC1(Cc2cc(Br)cs2)CCc2ccccc21
InChIInChI=1S/C14H14BrNS/c15-11-7-12(17-9-11)8-14(16)6-5-10-3-1-2-4-13(10)14/h1-4,7,9H,5-6,8,16H2
InChIKeyYALLYYBPACZMDI-UHFFFAOYSA-N
MW308.24 g/mol
LogP3.85
Rot. Bonds2

About 1-[(4-bromothiophen-2-yl)methyl]-2,3-dihydroinden-1-amine

1-[(4-bromothiophen-2-yl)methyl]-2,3-dihydroinden-1-amine (PubChem CID 55096011) has the molecular formula C14H14BrNS and a molecular weight of 308.24 g/mol. Its IUPAC name is 1-[(4-bromothiophen-2-yl)methyl]-2,3-dihydroinden-1-amine.

Molecular Properties

Compound Name1-[(4-bromothiophen-2-yl)methyl]-2,3-dihydroinden-1-amine
PubChem CID55096011
Molecular FormulaC14H14BrNS
Molecular Weight308.24 g/mol
Exact Mass307.00
IUPAC Name1-[(4-bromothiophen-2-yl)methyl]-2,3-dihydroinden-1-amine
SMILESNC1(Cc2cc(Br)cs2)CCc2ccccc21
InChIInChI=1S/C14H14BrNS/c15-11-7-12(17-9-11)8-14(16)6-5-10-3-1-2-4-13(10)14/h1-4,7,9H,5-6,8,16H2
InChIKeyYALLYYBPACZMDI-UHFFFAOYSA-N
XLogP3.85
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.24
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-bromothiophen-2-yl)methyl]-2,3-dihydroinden-1-amine?
The IUPAC name of 1-[(4-bromothiophen-2-yl)methyl]-2,3-dihydroinden-1-amine (CID 55096011) is 1-[(4-bromothiophen-2-yl)methyl]-2,3-dihydroinden-1-amine.
What is the SMILES notation for 1-[(4-bromothiophen-2-yl)methyl]-2,3-dihydroinden-1-amine?
The canonical SMILES for 1-[(4-bromothiophen-2-yl)methyl]-2,3-dihydroinden-1-amine is NC1(Cc2cc(Br)cs2)CCc2ccccc21.
What is the InChIKey of 1-[(4-bromothiophen-2-yl)methyl]-2,3-dihydroinden-1-amine?
The InChIKey is YALLYYBPACZMDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrNS/c15-11-7-12(17-9-11)8-14(16)6-5-10-3-1-2-4-13(10)14/h1-4,7,9H,5-6,8,16H2.
What are the key properties of 1-[(4-bromothiophen-2-yl)methyl]-2,3-dihydroinden-1-amine?
1-[(4-bromothiophen-2-yl)methyl]-2,3-dihydroinden-1-amine has a molecular weight of 308.24 g/mol, XLogP of 3.85, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-bromothiophen-2-yl)methyl]-2,3-dihydroinden-1-amine is sourced from PubChem (CID 55096011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).