[7-bromo-5-fluoro-3-(methoxymethyl)-1-benzofuran-2-yl]methanamine

C11H11BrFNO2 — CID 114376786

IUPAC[7-bromo-5-fluoro-3-(methoxymethyl)-1-benzofuran-2-yl]methanamine
SMILESCOCc1c(CN)oc2c(Br)cc(F)cc12
InChIInChI=1S/C11H11BrFNO2/c1-15-5-8-7-2-6(13)3-9(12)11(7)16-10(8)4-14/h2-3H,4-5,14H2,1H3
InChIKeyTYXRHBFORDXMIO-UHFFFAOYSA-N
MW288.12 g/mol
LogP2.94
Rot. Bonds3

About [7-bromo-5-fluoro-3-(methoxymethyl)-1-benzofuran-2-yl]methanamine

[7-bromo-5-fluoro-3-(methoxymethyl)-1-benzofuran-2-yl]methanamine (PubChem CID 114376786) has the molecular formula C11H11BrFNO2 and a molecular weight of 288.12 g/mol. Its IUPAC name is [7-bromo-5-fluoro-3-(methoxymethyl)-1-benzofuran-2-yl]methanamine.

Molecular Properties

Compound Name[7-bromo-5-fluoro-3-(methoxymethyl)-1-benzofuran-2-yl]methanamine
PubChem CID114376786
Molecular FormulaC11H11BrFNO2
Molecular Weight288.12 g/mol
Exact Mass287.00
IUPAC Name[7-bromo-5-fluoro-3-(methoxymethyl)-1-benzofuran-2-yl]methanamine
SMILESCOCc1c(CN)oc2c(Br)cc(F)cc12
InChIInChI=1S/C11H11BrFNO2/c1-15-5-8-7-2-6(13)3-9(12)11(7)16-10(8)4-14/h2-3H,4-5,14H2,1H3
InChIKeyTYXRHBFORDXMIO-UHFFFAOYSA-N
XLogP2.94
TPSA48.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.12
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[7-bromo-5-fluoro-3-(methoxymethyl)-1-benzofuran-2-yl]methyl]ethanamine
CID 114376801
N-[[7-bromo-5-fluoro-3-(methoxymethyl)-1-benzofuran-2-yl]methyl]-2-methylpropan-1-amine
CID 114376782
[4,5-difluoro-3-(methoxymethyl)-7-methyl-1-benzofuran-2-yl]methanamine
CID 114276844
N-[[7-bromo-3-(methoxymethyl)-5-methyl-1-benzofuran-2-yl]methyl]propan-2-amine
CID 114376086
[5-benzyl-3-(methoxymethyl)-1-benzofuran-2-yl]methanamine
CID 114377183
N-[(7-bromo-5-fluoro-3-methyl-1-benzofuran-2-yl)methyl]-2-methylpropan-2-amine
CID 81048068
[3-(methoxymethyl)-5-propyl-1-benzofuran-2-yl]methanamine
CID 114377191
7-bromo-5-fluoro-3-(2-methylpropyl)-1-benzofuran-2-carbonitrile
CID 63488874
7-chloro-5-fluoro-3-(methoxymethyl)-1-benzofuran-2-carboxylic acid
CID 114359108
N-[(7-bromo-5-fluoro-3-propan-2-yl-1-benzofuran-2-yl)methyl]-2-methylpropan-1-amine
CID 114376798
N-[[5-bromo-7-chloro-3-(methoxymethyl)-1-benzofuran-2-yl]methyl]ethanamine
CID 114376053
(7-bromo-3-propyl-1-benzofuran-2-yl)methanamine
CID 114376595

Frequently Asked Questions

What is the IUPAC name of [7-bromo-5-fluoro-3-(methoxymethyl)-1-benzofuran-2-yl]methanamine?
The IUPAC name of [7-bromo-5-fluoro-3-(methoxymethyl)-1-benzofuran-2-yl]methanamine (CID 114376786) is [7-bromo-5-fluoro-3-(methoxymethyl)-1-benzofuran-2-yl]methanamine.
What is the SMILES notation for [7-bromo-5-fluoro-3-(methoxymethyl)-1-benzofuran-2-yl]methanamine?
The canonical SMILES for [7-bromo-5-fluoro-3-(methoxymethyl)-1-benzofuran-2-yl]methanamine is COCc1c(CN)oc2c(Br)cc(F)cc12.
What is the InChIKey of [7-bromo-5-fluoro-3-(methoxymethyl)-1-benzofuran-2-yl]methanamine?
The InChIKey is TYXRHBFORDXMIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrFNO2/c1-15-5-8-7-2-6(13)3-9(12)11(7)16-10(8)4-14/h2-3H,4-5,14H2,1H3.
What are the key properties of [7-bromo-5-fluoro-3-(methoxymethyl)-1-benzofuran-2-yl]methanamine?
[7-bromo-5-fluoro-3-(methoxymethyl)-1-benzofuran-2-yl]methanamine has a molecular weight of 288.12 g/mol, XLogP of 2.94, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [7-bromo-5-fluoro-3-(methoxymethyl)-1-benzofuran-2-yl]methanamine is sourced from PubChem (CID 114376786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).