2-(7-bromo-2-methyl-2,3-dihydro-1-benzofuran-5-yl)propan-2-amine

C12H16BrNO — CID 84809035

IUPAC2-(7-bromo-2-methyl-2,3-dihydro-1-benzofuran-5-yl)propan-2-amine
SMILESCC1Cc2cc(C(C)(C)N)cc(Br)c2O1
InChIInChI=1S/C12H16BrNO/c1-7-4-8-5-9(12(2,3)14)6-10(13)11(8)15-7/h5-7H,4,14H2,1-3H3
InChIKeyVAQSBJHRJSYQIQ-UHFFFAOYSA-N
MW270.17 g/mol
LogP2.97
Rot. Bonds1

About 2-(7-bromo-2-methyl-2,3-dihydro-1-benzofuran-5-yl)propan-2-amine

2-(7-bromo-2-methyl-2,3-dihydro-1-benzofuran-5-yl)propan-2-amine (PubChem CID 84809035) has the molecular formula C12H16BrNO and a molecular weight of 270.17 g/mol. Its IUPAC name is 2-(7-bromo-2-methyl-2,3-dihydro-1-benzofuran-5-yl)propan-2-amine.

Molecular Properties

Compound Name2-(7-bromo-2-methyl-2,3-dihydro-1-benzofuran-5-yl)propan-2-amine
PubChem CID84809035
Molecular FormulaC12H16BrNO
Molecular Weight270.17 g/mol
Exact Mass269.04
IUPAC Name2-(7-bromo-2-methyl-2,3-dihydro-1-benzofuran-5-yl)propan-2-amine
SMILESCC1Cc2cc(C(C)(C)N)cc(Br)c2O1
InChIInChI=1S/C12H16BrNO/c1-7-4-8-5-9(12(2,3)14)6-10(13)11(8)15-7/h5-7H,4,14H2,1-3H3
InChIKeyVAQSBJHRJSYQIQ-UHFFFAOYSA-N
XLogP2.97
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.17
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(7-bromo-2-methyl-2,3-dihydro-1-benzofuran-5-yl)propan-2-amine?
The IUPAC name of 2-(7-bromo-2-methyl-2,3-dihydro-1-benzofuran-5-yl)propan-2-amine (CID 84809035) is 2-(7-bromo-2-methyl-2,3-dihydro-1-benzofuran-5-yl)propan-2-amine.
What is the SMILES notation for 2-(7-bromo-2-methyl-2,3-dihydro-1-benzofuran-5-yl)propan-2-amine?
The canonical SMILES for 2-(7-bromo-2-methyl-2,3-dihydro-1-benzofuran-5-yl)propan-2-amine is CC1Cc2cc(C(C)(C)N)cc(Br)c2O1.
What is the InChIKey of 2-(7-bromo-2-methyl-2,3-dihydro-1-benzofuran-5-yl)propan-2-amine?
The InChIKey is VAQSBJHRJSYQIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrNO/c1-7-4-8-5-9(12(2,3)14)6-10(13)11(8)15-7/h5-7H,4,14H2,1-3H3.
What are the key properties of 2-(7-bromo-2-methyl-2,3-dihydro-1-benzofuran-5-yl)propan-2-amine?
2-(7-bromo-2-methyl-2,3-dihydro-1-benzofuran-5-yl)propan-2-amine has a molecular weight of 270.17 g/mol, XLogP of 2.97, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-bromo-2-methyl-2,3-dihydro-1-benzofuran-5-yl)propan-2-amine is sourced from PubChem (CID 84809035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).