6-bromo-N-propan-2-yl-2,3-dihydro-1-benzofuran-3-amine

C11H14BrNO — CID 79982248

IUPAC6-bromo-N-propan-2-yl-2,3-dihydro-1-benzofuran-3-amine
SMILESCC(C)NC1COc2cc(Br)ccc21
InChIInChI=1S/C11H14BrNO/c1-7(2)13-10-6-14-11-5-8(12)3-4-9(10)11/h3-5,7,10,13H,6H2,1-2H3
InChIKeyJZLPMPZTYSYAGA-UHFFFAOYSA-N
MW256.14 g/mol
LogP2.88
Rot. Bonds2

About 6-bromo-N-propan-2-yl-2,3-dihydro-1-benzofuran-3-amine

6-bromo-N-propan-2-yl-2,3-dihydro-1-benzofuran-3-amine (PubChem CID 79982248) has the molecular formula C11H14BrNO and a molecular weight of 256.14 g/mol. Its IUPAC name is 6-bromo-N-propan-2-yl-2,3-dihydro-1-benzofuran-3-amine.

Molecular Properties

Compound Name6-bromo-N-propan-2-yl-2,3-dihydro-1-benzofuran-3-amine
PubChem CID79982248
Molecular FormulaC11H14BrNO
Molecular Weight256.14 g/mol
Exact Mass255.03
IUPAC Name6-bromo-N-propan-2-yl-2,3-dihydro-1-benzofuran-3-amine
SMILESCC(C)NC1COc2cc(Br)ccc21
InChIInChI=1S/C11H14BrNO/c1-7(2)13-10-6-14-11-5-8(12)3-4-9(10)11/h3-5,7,10,13H,6H2,1-2H3
InChIKeyJZLPMPZTYSYAGA-UHFFFAOYSA-N
XLogP2.88
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.14
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-propan-2-yl-2,3-dihydro-1-benzofuran-3-amine?
The IUPAC name of 6-bromo-N-propan-2-yl-2,3-dihydro-1-benzofuran-3-amine (CID 79982248) is 6-bromo-N-propan-2-yl-2,3-dihydro-1-benzofuran-3-amine.
What is the SMILES notation for 6-bromo-N-propan-2-yl-2,3-dihydro-1-benzofuran-3-amine?
The canonical SMILES for 6-bromo-N-propan-2-yl-2,3-dihydro-1-benzofuran-3-amine is CC(C)NC1COc2cc(Br)ccc21.
What is the InChIKey of 6-bromo-N-propan-2-yl-2,3-dihydro-1-benzofuran-3-amine?
The InChIKey is JZLPMPZTYSYAGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrNO/c1-7(2)13-10-6-14-11-5-8(12)3-4-9(10)11/h3-5,7,10,13H,6H2,1-2H3.
What are the key properties of 6-bromo-N-propan-2-yl-2,3-dihydro-1-benzofuran-3-amine?
6-bromo-N-propan-2-yl-2,3-dihydro-1-benzofuran-3-amine has a molecular weight of 256.14 g/mol, XLogP of 2.88, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-propan-2-yl-2,3-dihydro-1-benzofuran-3-amine is sourced from PubChem (CID 79982248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).