(5,7-dibromo-3-cyclopropyl-1-benzofuran-2-yl)methanamine

C12H11Br2NO — CID 114377426

IUPAC(5,7-dibromo-3-cyclopropyl-1-benzofuran-2-yl)methanamine
SMILESNCc1oc2c(Br)cc(Br)cc2c1C1CC1
InChIInChI=1S/C12H11Br2NO/c13-7-3-8-11(6-1-2-6)10(5-15)16-12(8)9(14)4-7/h3-4,6H,1-2,5,15H2
InChIKeySFNHCOSZRJKILH-UHFFFAOYSA-N
MW345.03 g/mol
LogP4.29
Rot. Bonds2

About (5,7-dibromo-3-cyclopropyl-1-benzofuran-2-yl)methanamine

(5,7-dibromo-3-cyclopropyl-1-benzofuran-2-yl)methanamine (PubChem CID 114377426) has the molecular formula C12H11Br2NO and a molecular weight of 345.03 g/mol. Its IUPAC name is (5,7-dibromo-3-cyclopropyl-1-benzofuran-2-yl)methanamine.

Molecular Properties

Compound Name(5,7-dibromo-3-cyclopropyl-1-benzofuran-2-yl)methanamine
PubChem CID114377426
Molecular FormulaC12H11Br2NO
Molecular Weight345.03 g/mol
Exact Mass342.92
IUPAC Name(5,7-dibromo-3-cyclopropyl-1-benzofuran-2-yl)methanamine
SMILESNCc1oc2c(Br)cc(Br)cc2c1C1CC1
InChIInChI=1S/C12H11Br2NO/c13-7-3-8-11(6-1-2-6)10(5-15)16-12(8)9(14)4-7/h3-4,6H,1-2,5,15H2
InChIKeySFNHCOSZRJKILH-UHFFFAOYSA-N
XLogP4.29
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.03
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3-cyclopropyl-5,7-dimethyl-1-benzofuran-2-yl)methanamine
CID 62381419
(4-bromo-7-chloro-3-cyclopropyl-1-benzofuran-2-yl)methanamine
CID 114377361
(7-chloro-3-cyclopropyl-5-phenyl-1-benzofuran-2-yl)methanamine
CID 63488725
N-[(5-bromo-3-cyclopropyl-7-methyl-1-benzofuran-2-yl)methyl]ethanamine
CID 114377311
(6,7-dichloro-3-cyclopropyl-1-benzofuran-2-yl)methanamine
CID 114375491
5-bromo-3-cyclopropyl-7-fluoro-1-benzofuran-2-carboxylic acid
CID 62379026
(5-bromo-7-methyl-3-phenyl-1-benzofuran-2-yl)methanamine
CID 55163855
[7-bromo-5-fluoro-3-(methoxymethyl)-1-benzofuran-2-yl]methanamine
CID 114376786
N-[(7-chloro-3-cyclopropyl-5-methyl-1-benzofuran-2-yl)methyl]propan-2-amine
CID 114377233
N-[(5-bromo-4,7-dichloro-3-cyclopropyl-1-benzofuran-2-yl)methyl]propan-2-amine
CID 107662984
(7-bromo-3-methyl-1-benzofuran-2-yl)methanamine
CID 81049217
1-(7-bromo-5-chloro-3-cyclopropyl-4-fluoro-1-benzofuran-2-yl)-N-methylmethanamine
CID 114042910

Frequently Asked Questions

What is the IUPAC name of (5,7-dibromo-3-cyclopropyl-1-benzofuran-2-yl)methanamine?
The IUPAC name of (5,7-dibromo-3-cyclopropyl-1-benzofuran-2-yl)methanamine (CID 114377426) is (5,7-dibromo-3-cyclopropyl-1-benzofuran-2-yl)methanamine.
What is the SMILES notation for (5,7-dibromo-3-cyclopropyl-1-benzofuran-2-yl)methanamine?
The canonical SMILES for (5,7-dibromo-3-cyclopropyl-1-benzofuran-2-yl)methanamine is NCc1oc2c(Br)cc(Br)cc2c1C1CC1.
What is the InChIKey of (5,7-dibromo-3-cyclopropyl-1-benzofuran-2-yl)methanamine?
The InChIKey is SFNHCOSZRJKILH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11Br2NO/c13-7-3-8-11(6-1-2-6)10(5-15)16-12(8)9(14)4-7/h3-4,6H,1-2,5,15H2.
What are the key properties of (5,7-dibromo-3-cyclopropyl-1-benzofuran-2-yl)methanamine?
(5,7-dibromo-3-cyclopropyl-1-benzofuran-2-yl)methanamine has a molecular weight of 345.03 g/mol, XLogP of 4.29, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5,7-dibromo-3-cyclopropyl-1-benzofuran-2-yl)methanamine is sourced from PubChem (CID 114377426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).