[7-ethoxy-3-(methoxymethyl)-1-benzofuran-2-yl]methanamine

C13H17NO3 — CID 114376467

IUPAC[7-ethoxy-3-(methoxymethyl)-1-benzofuran-2-yl]methanamine
SMILESCCOc1cccc2c(COC)c(CN)oc12
InChIInChI=1S/C13H17NO3/c1-3-16-11-6-4-5-9-10(8-15-2)12(7-14)17-13(9)11/h4-6H,3,7-8,14H2,1-2H3
InChIKeyDNEAPJGETAAIDF-UHFFFAOYSA-N
MW235.28 g/mol
LogP2.44
Rot. Bonds5

About [7-ethoxy-3-(methoxymethyl)-1-benzofuran-2-yl]methanamine

[7-ethoxy-3-(methoxymethyl)-1-benzofuran-2-yl]methanamine (PubChem CID 114376467) has the molecular formula C13H17NO3 and a molecular weight of 235.28 g/mol. Its IUPAC name is [7-ethoxy-3-(methoxymethyl)-1-benzofuran-2-yl]methanamine.

Molecular Properties

Compound Name[7-ethoxy-3-(methoxymethyl)-1-benzofuran-2-yl]methanamine
PubChem CID114376467
Molecular FormulaC13H17NO3
Molecular Weight235.28 g/mol
Exact Mass235.12
IUPAC Name[7-ethoxy-3-(methoxymethyl)-1-benzofuran-2-yl]methanamine
SMILESCCOc1cccc2c(COC)c(CN)oc12
InChIInChI=1S/C13H17NO3/c1-3-16-11-6-4-5-9-10(8-15-2)12(7-14)17-13(9)11/h4-6H,3,7-8,14H2,1-2H3
InChIKeyDNEAPJGETAAIDF-UHFFFAOYSA-N
XLogP2.44
TPSA57.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.28
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[7-ethoxy-3-(methoxymethyl)-1-benzofuran-2-yl]methyl]ethanamine
CID 114376491
N-[[7-methoxy-3-(methoxymethyl)-1-benzofuran-2-yl]methyl]ethanamine
CID 114375085
[7-methoxy-3-(2-methylpropyl)-1-benzofuran-2-yl]methanamine
CID 114375077
1-(7-ethoxy-3-ethyl-1-benzofuran-2-yl)-N-methylmethanamine
CID 104842971
N-[[7-methoxy-3-(methoxymethyl)-1-benzofuran-2-yl]methyl]propan-1-amine
CID 114375084
(7-ethoxy-1,3-benzoxazol-2-yl)methanamine
CID 130980249
(7-bromo-3-propyl-1-benzofuran-2-yl)methanamine
CID 114376595
N-[(3-ethyl-7-methoxy-1-benzofuran-2-yl)methyl]-2-methylpropan-2-amine
CID 104842810
N-(2-ethoxyphenyl)-3-(methoxymethyl)-1-benzofuran-2-carboxamide
CID 7699468
1-(7-ethoxy-3-methyl-1-benzofuran-2-yl)ethanone
CID 43155106
N-[(3-ethyl-7-propoxy-1-benzofuran-2-yl)methyl]ethanamine
CID 104843048
CID 57470241
CID 57470241

Frequently Asked Questions

What is the IUPAC name of [7-ethoxy-3-(methoxymethyl)-1-benzofuran-2-yl]methanamine?
The IUPAC name of [7-ethoxy-3-(methoxymethyl)-1-benzofuran-2-yl]methanamine (CID 114376467) is [7-ethoxy-3-(methoxymethyl)-1-benzofuran-2-yl]methanamine.
What is the SMILES notation for [7-ethoxy-3-(methoxymethyl)-1-benzofuran-2-yl]methanamine?
The canonical SMILES for [7-ethoxy-3-(methoxymethyl)-1-benzofuran-2-yl]methanamine is CCOc1cccc2c(COC)c(CN)oc12.
What is the InChIKey of [7-ethoxy-3-(methoxymethyl)-1-benzofuran-2-yl]methanamine?
The InChIKey is DNEAPJGETAAIDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO3/c1-3-16-11-6-4-5-9-10(8-15-2)12(7-14)17-13(9)11/h4-6H,3,7-8,14H2,1-2H3.
What are the key properties of [7-ethoxy-3-(methoxymethyl)-1-benzofuran-2-yl]methanamine?
[7-ethoxy-3-(methoxymethyl)-1-benzofuran-2-yl]methanamine has a molecular weight of 235.28 g/mol, XLogP of 2.44, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [7-ethoxy-3-(methoxymethyl)-1-benzofuran-2-yl]methanamine is sourced from PubChem (CID 114376467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).