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

C10H10BrNO — CID 63216476

IUPAC(5-bromo-7-methyl-1-benzofuran-2-yl)methanamine
SMILESCc1cc(Br)cc2cc(CN)oc12
InChIInChI=1S/C10H10BrNO/c1-6-2-8(11)3-7-4-9(5-12)13-10(6)7/h2-4H,5,12H2,1H3
InChIKeyRMDOTIGSEBBNJR-UHFFFAOYSA-N
MW240.10 g/mol
LogP2.96
Rot. Bonds1

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

(5-bromo-7-methyl-1-benzofuran-2-yl)methanamine (PubChem CID 63216476) has the molecular formula C10H10BrNO and a molecular weight of 240.10 g/mol. Its IUPAC name is (5-bromo-7-methyl-1-benzofuran-2-yl)methanamine.

Molecular Properties

Compound Name(5-bromo-7-methyl-1-benzofuran-2-yl)methanamine
PubChem CID63216476
Molecular FormulaC10H10BrNO
Molecular Weight240.10 g/mol
Exact Mass238.99
IUPAC Name(5-bromo-7-methyl-1-benzofuran-2-yl)methanamine
SMILESCc1cc(Br)cc2cc(CN)oc12
InChIInChI=1S/C10H10BrNO/c1-6-2-8(11)3-7-4-9(5-12)13-10(6)7/h2-4H,5,12H2,1H3
InChIKeyRMDOTIGSEBBNJR-UHFFFAOYSA-N
XLogP2.96
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.10
LogP ≤ 52.96
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-1-benzofuran-2-yl)methanamine?
The IUPAC name of (5-bromo-7-methyl-1-benzofuran-2-yl)methanamine (CID 63216476) is (5-bromo-7-methyl-1-benzofuran-2-yl)methanamine.
What is the SMILES notation for (5-bromo-7-methyl-1-benzofuran-2-yl)methanamine?
The canonical SMILES for (5-bromo-7-methyl-1-benzofuran-2-yl)methanamine is Cc1cc(Br)cc2cc(CN)oc12.
What is the InChIKey of (5-bromo-7-methyl-1-benzofuran-2-yl)methanamine?
The InChIKey is RMDOTIGSEBBNJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrNO/c1-6-2-8(11)3-7-4-9(5-12)13-10(6)7/h2-4H,5,12H2,1H3.
What are the key properties of (5-bromo-7-methyl-1-benzofuran-2-yl)methanamine?
(5-bromo-7-methyl-1-benzofuran-2-yl)methanamine has a molecular weight of 240.10 g/mol, XLogP of 2.96, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-7-methyl-1-benzofuran-2-yl)methanamine is sourced from PubChem (CID 63216476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).