(5-bromo-3-methyl-1-benzofuran-2-yl)methanamine;hydrochloride

C10H11BrClNO — CID 138991395

IUPAC(5-bromo-3-methyl-1-benzofuran-2-yl)methanamine;hydrochloride
SMILESCc1c(CN)oc2ccc(Br)cc12.Cl
InChIInChI=1S/C10H10BrNO.ClH/c1-6-8-4-7(11)2-3-9(8)13-10(6)5-12;/h2-4H,5,12H2,1H3;1H
InChIKeyAPPNVWCVIHMRCS-UHFFFAOYSA-N
MW276.56 g/mol
LogP3.38
Rot. Bonds1

About (5-bromo-3-methyl-1-benzofuran-2-yl)methanamine;hydrochloride

(5-bromo-3-methyl-1-benzofuran-2-yl)methanamine;hydrochloride (PubChem CID 138991395) has the molecular formula C10H11BrClNO and a molecular weight of 276.56 g/mol. Its IUPAC name is (5-bromo-3-methyl-1-benzofuran-2-yl)methanamine;hydrochloride.

Molecular Properties

Compound Name(5-bromo-3-methyl-1-benzofuran-2-yl)methanamine;hydrochloride
PubChem CID138991395
Molecular FormulaC10H11BrClNO
Molecular Weight276.56 g/mol
Exact Mass274.97
IUPAC Name(5-bromo-3-methyl-1-benzofuran-2-yl)methanamine;hydrochloride
SMILESCc1c(CN)oc2ccc(Br)cc12.Cl
InChIInChI=1S/C10H10BrNO.ClH/c1-6-8-4-7(11)2-3-9(8)13-10(6)5-12;/h2-4H,5,12H2,1H3;1H
InChIKeyAPPNVWCVIHMRCS-UHFFFAOYSA-N
XLogP3.38
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.56
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5-bromo-3-methyl-1-benzofuran-2-yl)methanamine;hydrochloride?
The IUPAC name of (5-bromo-3-methyl-1-benzofuran-2-yl)methanamine;hydrochloride (CID 138991395) is (5-bromo-3-methyl-1-benzofuran-2-yl)methanamine;hydrochloride.
What is the SMILES notation for (5-bromo-3-methyl-1-benzofuran-2-yl)methanamine;hydrochloride?
The canonical SMILES for (5-bromo-3-methyl-1-benzofuran-2-yl)methanamine;hydrochloride is Cc1c(CN)oc2ccc(Br)cc12.Cl.
What is the InChIKey of (5-bromo-3-methyl-1-benzofuran-2-yl)methanamine;hydrochloride?
The InChIKey is APPNVWCVIHMRCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrNO.ClH/c1-6-8-4-7(11)2-3-9(8)13-10(6)5-12;/h2-4H,5,12H2,1H3;1H.
What are the key properties of (5-bromo-3-methyl-1-benzofuran-2-yl)methanamine;hydrochloride?
(5-bromo-3-methyl-1-benzofuran-2-yl)methanamine;hydrochloride has a molecular weight of 276.56 g/mol, XLogP of 3.38, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-3-methyl-1-benzofuran-2-yl)methanamine;hydrochloride is sourced from PubChem (CID 138991395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).