(7-bromo-1-benzofuran-2-yl)methanamine

C9H8BrNO — CID 61389824

IUPAC(7-bromo-1-benzofuran-2-yl)methanamine
SMILESNCc1cc2cccc(Br)c2o1
InChIInChI=1S/C9H8BrNO/c10-8-3-1-2-6-4-7(5-11)12-9(6)8/h1-4H,5,11H2
InChIKeyAKQRJFFBIBGSNP-UHFFFAOYSA-N
MW226.07 g/mol
LogP2.65
Rot. Bonds1

About (7-bromo-1-benzofuran-2-yl)methanamine

(7-bromo-1-benzofuran-2-yl)methanamine (PubChem CID 61389824) has the molecular formula C9H8BrNO and a molecular weight of 226.07 g/mol. Its IUPAC name is (7-bromo-1-benzofuran-2-yl)methanamine.

Molecular Properties

Compound Name(7-bromo-1-benzofuran-2-yl)methanamine
PubChem CID61389824
Molecular FormulaC9H8BrNO
Molecular Weight226.07 g/mol
Exact Mass224.98
IUPAC Name(7-bromo-1-benzofuran-2-yl)methanamine
SMILESNCc1cc2cccc(Br)c2o1
InChIInChI=1S/C9H8BrNO/c10-8-3-1-2-6-4-7(5-11)12-9(6)8/h1-4H,5,11H2
InChIKeyAKQRJFFBIBGSNP-UHFFFAOYSA-N
XLogP2.65
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.07
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

7-bromo-2-(bromomethyl)-1-benzofuran
CID 103818929
7-bromo-2-(chloromethyl)-1-benzofuran
CID 103027295
(7-chloro-1-benzofuran-2-yl)methanamine
CID 65441087
1-[(7-bromo-1-benzofuran-2-yl)methyl]azepane
CID 117182734
7-bromo-2-[(2-methylphenoxy)methyl]-1-benzofuran
CID 117182771
[7-(3-chloro-4-fluorophenyl)-1-benzofuran-2-yl]methanamine
CID 123356404
7-bromo-1-benzofuran-2-carboxamide
CID 47331810
1-(7-bromo-1-benzofuran-2-yl)-2-methoxyethanamine
CID 105165713
(7-bromo-1-benzofuran-2-yl)-phenylmethanamine
CID 61391264
2-N-[(7-bromo-1-benzofuran-2-yl)methyl]-1-N-ethyl-1-N-methylpropane-1,2-diamine
CID 103110012
1-(7-bromo-1-benzofuran-2-yl)-3-phenylpropan-1-amine
CID 105094359
[2-[(dimethylamino)methyl]-1-benzofuran-7-yl]methanamine
CID 84672518

Frequently Asked Questions

What is the IUPAC name of (7-bromo-1-benzofuran-2-yl)methanamine?
The IUPAC name of (7-bromo-1-benzofuran-2-yl)methanamine (CID 61389824) is (7-bromo-1-benzofuran-2-yl)methanamine.
What is the SMILES notation for (7-bromo-1-benzofuran-2-yl)methanamine?
The canonical SMILES for (7-bromo-1-benzofuran-2-yl)methanamine is NCc1cc2cccc(Br)c2o1.
What is the InChIKey of (7-bromo-1-benzofuran-2-yl)methanamine?
The InChIKey is AKQRJFFBIBGSNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8BrNO/c10-8-3-1-2-6-4-7(5-11)12-9(6)8/h1-4H,5,11H2.
What are the key properties of (7-bromo-1-benzofuran-2-yl)methanamine?
(7-bromo-1-benzofuran-2-yl)methanamine has a molecular weight of 226.07 g/mol, XLogP of 2.65, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (7-bromo-1-benzofuran-2-yl)methanamine is sourced from PubChem (CID 61389824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).