(5-bromo-7-methyl-3-phenyl-1-benzofuran-2-yl)methanamine

C16H14BrNO — CID 55163855

IUPAC(5-bromo-7-methyl-3-phenyl-1-benzofuran-2-yl)methanamine
SMILESCc1cc(Br)cc2c(-c3ccccc3)c(CN)oc12
InChIInChI=1S/C16H14BrNO/c1-10-7-12(17)8-13-15(11-5-3-2-4-6-11)14(9-18)19-16(10)13/h2-8H,9,18H2,1H3
InChIKeyOFJLQWUQGJMBBH-UHFFFAOYSA-N
MW316.20 g/mol
LogP4.63
Rot. Bonds2

About (5-bromo-7-methyl-3-phenyl-1-benzofuran-2-yl)methanamine

(5-bromo-7-methyl-3-phenyl-1-benzofuran-2-yl)methanamine (PubChem CID 55163855) has the molecular formula C16H14BrNO and a molecular weight of 316.20 g/mol. Its IUPAC name is (5-bromo-7-methyl-3-phenyl-1-benzofuran-2-yl)methanamine.

Molecular Properties

Compound Name(5-bromo-7-methyl-3-phenyl-1-benzofuran-2-yl)methanamine
PubChem CID55163855
Molecular FormulaC16H14BrNO
Molecular Weight316.20 g/mol
Exact Mass315.03
IUPAC Name(5-bromo-7-methyl-3-phenyl-1-benzofuran-2-yl)methanamine
SMILESCc1cc(Br)cc2c(-c3ccccc3)c(CN)oc12
InChIInChI=1S/C16H14BrNO/c1-10-7-12(17)8-13-15(11-5-3-2-4-6-11)14(9-18)19-16(10)13/h2-8H,9,18H2,1H3
InChIKeyOFJLQWUQGJMBBH-UHFFFAOYSA-N
XLogP4.63
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.20
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5-bromo-7-methyl-3-phenyl-1-benzofuran-2-yl)methanamine?
The IUPAC name of (5-bromo-7-methyl-3-phenyl-1-benzofuran-2-yl)methanamine (CID 55163855) is (5-bromo-7-methyl-3-phenyl-1-benzofuran-2-yl)methanamine.
What is the SMILES notation for (5-bromo-7-methyl-3-phenyl-1-benzofuran-2-yl)methanamine?
The canonical SMILES for (5-bromo-7-methyl-3-phenyl-1-benzofuran-2-yl)methanamine is Cc1cc(Br)cc2c(-c3ccccc3)c(CN)oc12.
What is the InChIKey of (5-bromo-7-methyl-3-phenyl-1-benzofuran-2-yl)methanamine?
The InChIKey is OFJLQWUQGJMBBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrNO/c1-10-7-12(17)8-13-15(11-5-3-2-4-6-11)14(9-18)19-16(10)13/h2-8H,9,18H2,1H3.
What are the key properties of (5-bromo-7-methyl-3-phenyl-1-benzofuran-2-yl)methanamine?
(5-bromo-7-methyl-3-phenyl-1-benzofuran-2-yl)methanamine has a molecular weight of 316.20 g/mol, XLogP of 4.63, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-7-methyl-3-phenyl-1-benzofuran-2-yl)methanamine is sourced from PubChem (CID 55163855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).