1-(7-bromo-5-methyl-1-benzofuran-2-yl)ethanamine

C11H12BrNO — CID 65438612

IUPAC1-(7-bromo-5-methyl-1-benzofuran-2-yl)ethanamine
SMILESCc1cc(Br)c2oc(C(C)N)cc2c1
InChIInChI=1S/C11H12BrNO/c1-6-3-8-5-10(7(2)13)14-11(8)9(12)4-6/h3-5,7H,13H2,1-2H3
InChIKeyJYSKRUIOXMAUBG-UHFFFAOYSA-N
MW254.13 g/mol
LogP3.52
Rot. Bonds1

About 1-(7-bromo-5-methyl-1-benzofuran-2-yl)ethanamine

1-(7-bromo-5-methyl-1-benzofuran-2-yl)ethanamine (PubChem CID 65438612) has the molecular formula C11H12BrNO and a molecular weight of 254.13 g/mol. Its IUPAC name is 1-(7-bromo-5-methyl-1-benzofuran-2-yl)ethanamine.

Molecular Properties

Compound Name1-(7-bromo-5-methyl-1-benzofuran-2-yl)ethanamine
PubChem CID65438612
Molecular FormulaC11H12BrNO
Molecular Weight254.13 g/mol
Exact Mass253.01
IUPAC Name1-(7-bromo-5-methyl-1-benzofuran-2-yl)ethanamine
SMILESCc1cc(Br)c2oc(C(C)N)cc2c1
InChIInChI=1S/C11H12BrNO/c1-6-3-8-5-10(7(2)13)14-11(8)9(12)4-6/h3-5,7H,13H2,1-2H3
InChIKeyJYSKRUIOXMAUBG-UHFFFAOYSA-N
XLogP3.52
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.13
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(7-bromo-5-methyl-1-benzofuran-2-yl)ethanamine?
The IUPAC name of 1-(7-bromo-5-methyl-1-benzofuran-2-yl)ethanamine (CID 65438612) is 1-(7-bromo-5-methyl-1-benzofuran-2-yl)ethanamine.
What is the SMILES notation for 1-(7-bromo-5-methyl-1-benzofuran-2-yl)ethanamine?
The canonical SMILES for 1-(7-bromo-5-methyl-1-benzofuran-2-yl)ethanamine is Cc1cc(Br)c2oc(C(C)N)cc2c1.
What is the InChIKey of 1-(7-bromo-5-methyl-1-benzofuran-2-yl)ethanamine?
The InChIKey is JYSKRUIOXMAUBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrNO/c1-6-3-8-5-10(7(2)13)14-11(8)9(12)4-6/h3-5,7H,13H2,1-2H3.
What are the key properties of 1-(7-bromo-5-methyl-1-benzofuran-2-yl)ethanamine?
1-(7-bromo-5-methyl-1-benzofuran-2-yl)ethanamine has a molecular weight of 254.13 g/mol, XLogP of 3.52, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-bromo-5-methyl-1-benzofuran-2-yl)ethanamine is sourced from PubChem (CID 65438612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).