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

C11H12BrNO2 — CID 117428277

IUPAC(4-bromo-7-methoxy-2-methyl-1-benzofuran-5-yl)methanamine
SMILESCOc1cc(CN)c(Br)c2cc(C)oc12
InChIInChI=1S/C11H12BrNO2/c1-6-3-8-10(12)7(5-13)4-9(14-2)11(8)15-6/h3-4H,5,13H2,1-2H3
InChIKeyNZMIBPJRWGOHOE-UHFFFAOYSA-N
MW270.13 g/mol
LogP2.97
Rot. Bonds2

About (4-bromo-7-methoxy-2-methyl-1-benzofuran-5-yl)methanamine

(4-bromo-7-methoxy-2-methyl-1-benzofuran-5-yl)methanamine (PubChem CID 117428277) has the molecular formula C11H12BrNO2 and a molecular weight of 270.13 g/mol. Its IUPAC name is (4-bromo-7-methoxy-2-methyl-1-benzofuran-5-yl)methanamine.

Molecular Properties

Compound Name(4-bromo-7-methoxy-2-methyl-1-benzofuran-5-yl)methanamine
PubChem CID117428277
Molecular FormulaC11H12BrNO2
Molecular Weight270.13 g/mol
Exact Mass269.01
IUPAC Name(4-bromo-7-methoxy-2-methyl-1-benzofuran-5-yl)methanamine
SMILESCOc1cc(CN)c(Br)c2cc(C)oc12
InChIInChI=1S/C11H12BrNO2/c1-6-3-8-10(12)7(5-13)4-9(14-2)11(8)15-6/h3-4H,5,13H2,1-2H3
InChIKeyNZMIBPJRWGOHOE-UHFFFAOYSA-N
XLogP2.97
TPSA48.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.13
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-bromo-7-methoxy-2-methyl-1-benzofuran-5-yl)acetic acid
CID 117481516
N-[(4-chloro-7-methoxy-2-methyl-1-benzofuran-5-yl)methyl]hydroxylamine
CID 117356135
1-(4-chloro-7-methoxy-2-methyl-1-benzofuran-5-yl)-N-methoxymethanamine
CID 117392278
2-(4-bromo-7-methoxy-2-methyl-1-benzofuran-5-yl)pyrrolidine
CID 117494926
3-(4-bromo-7-methoxy-1-benzofuran-5-yl)propan-1-amine
CID 117456968
(4,7-dibromo-5-methoxy-3-methyl-1-benzofuran-2-yl)methanamine
CID 81047451
(3,4,5-trimethoxy-2-methylphenyl)methanamine
CID 174928616
2-(4-bromo-2,3,5-trimethoxyphenyl)ethanamine
CID 162461406
[1-(7-methoxy-2-methyl-1-benzofuran-4-yl)cyclopentyl]methanamine
CID 117402303
[1-(4-chloro-7-methoxy-2-methyl-1-benzofuran-5-yl)cyclohexyl]methanamine
CID 117492783
(5-bromo-4-iodo-2-methoxyphenyl)methanamine
CID 171018559
[3-(4-methoxy-2,6-dimethylfuro[2,3-f][1]benzofuran-8-yl)-1,2,4-oxadiazol-5-yl]methanamine
CID 117498693

Frequently Asked Questions

What is the IUPAC name of (4-bromo-7-methoxy-2-methyl-1-benzofuran-5-yl)methanamine?
The IUPAC name of (4-bromo-7-methoxy-2-methyl-1-benzofuran-5-yl)methanamine (CID 117428277) is (4-bromo-7-methoxy-2-methyl-1-benzofuran-5-yl)methanamine.
What is the SMILES notation for (4-bromo-7-methoxy-2-methyl-1-benzofuran-5-yl)methanamine?
The canonical SMILES for (4-bromo-7-methoxy-2-methyl-1-benzofuran-5-yl)methanamine is COc1cc(CN)c(Br)c2cc(C)oc12.
What is the InChIKey of (4-bromo-7-methoxy-2-methyl-1-benzofuran-5-yl)methanamine?
The InChIKey is NZMIBPJRWGOHOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrNO2/c1-6-3-8-10(12)7(5-13)4-9(14-2)11(8)15-6/h3-4H,5,13H2,1-2H3.
What are the key properties of (4-bromo-7-methoxy-2-methyl-1-benzofuran-5-yl)methanamine?
(4-bromo-7-methoxy-2-methyl-1-benzofuran-5-yl)methanamine has a molecular weight of 270.13 g/mol, XLogP of 2.97, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-7-methoxy-2-methyl-1-benzofuran-5-yl)methanamine is sourced from PubChem (CID 117428277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).