9-bromo-N-cyclopropyl-2,3-dihydrobenzo[f][1]benzofuran-3-amine

C15H14BrNO — CID 54911039

IUPAC9-bromo-N-cyclopropyl-2,3-dihydrobenzo[f][1]benzofuran-3-amine
SMILESBrc1c2c(cc3ccccc13)C(NC1CC1)CO2
InChIInChI=1S/C15H14BrNO/c16-14-11-4-2-1-3-9(11)7-12-13(8-18-15(12)14)17-10-5-6-10/h1-4,7,10,13,17H,5-6,8H2
InChIKeyPGTIZCFHMBLYPZ-UHFFFAOYSA-N
MW304.19 g/mol
LogP3.79
Rot. Bonds2

About 9-bromo-N-cyclopropyl-2,3-dihydrobenzo[f][1]benzofuran-3-amine

9-bromo-N-cyclopropyl-2,3-dihydrobenzo[f][1]benzofuran-3-amine (PubChem CID 54911039) has the molecular formula C15H14BrNO and a molecular weight of 304.19 g/mol. Its IUPAC name is 9-bromo-N-cyclopropyl-2,3-dihydrobenzo[f][1]benzofuran-3-amine.

Molecular Properties

Compound Name9-bromo-N-cyclopropyl-2,3-dihydrobenzo[f][1]benzofuran-3-amine
PubChem CID54911039
Molecular FormulaC15H14BrNO
Molecular Weight304.19 g/mol
Exact Mass303.03
IUPAC Name9-bromo-N-cyclopropyl-2,3-dihydrobenzo[f][1]benzofuran-3-amine
SMILESBrc1c2c(cc3ccccc13)C(NC1CC1)CO2
InChIInChI=1S/C15H14BrNO/c16-14-11-4-2-1-3-9(11)7-12-13(8-18-15(12)14)17-10-5-6-10/h1-4,7,10,13,17H,5-6,8H2
InChIKeyPGTIZCFHMBLYPZ-UHFFFAOYSA-N
XLogP3.79
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.19
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 9-bromo-N-cyclopropyl-2,3-dihydrobenzo[f][1]benzofuran-3-amine?
The IUPAC name of 9-bromo-N-cyclopropyl-2,3-dihydrobenzo[f][1]benzofuran-3-amine (CID 54911039) is 9-bromo-N-cyclopropyl-2,3-dihydrobenzo[f][1]benzofuran-3-amine.
What is the SMILES notation for 9-bromo-N-cyclopropyl-2,3-dihydrobenzo[f][1]benzofuran-3-amine?
The canonical SMILES for 9-bromo-N-cyclopropyl-2,3-dihydrobenzo[f][1]benzofuran-3-amine is Brc1c2c(cc3ccccc13)C(NC1CC1)CO2.
What is the InChIKey of 9-bromo-N-cyclopropyl-2,3-dihydrobenzo[f][1]benzofuran-3-amine?
The InChIKey is PGTIZCFHMBLYPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrNO/c16-14-11-4-2-1-3-9(11)7-12-13(8-18-15(12)14)17-10-5-6-10/h1-4,7,10,13,17H,5-6,8H2.
What are the key properties of 9-bromo-N-cyclopropyl-2,3-dihydrobenzo[f][1]benzofuran-3-amine?
9-bromo-N-cyclopropyl-2,3-dihydrobenzo[f][1]benzofuran-3-amine has a molecular weight of 304.19 g/mol, XLogP of 3.79, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-bromo-N-cyclopropyl-2,3-dihydrobenzo[f][1]benzofuran-3-amine is sourced from PubChem (CID 54911039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).