N-[[7-methoxy-3-(methoxymethyl)-1-benzofuran-2-yl]methyl]ethanamine

C14H19NO3 — CID 114375085

IUPACN-[[7-methoxy-3-(methoxymethyl)-1-benzofuran-2-yl]methyl]ethanamine
SMILESCCNCc1oc2c(OC)cccc2c1COC
InChIInChI=1S/C14H19NO3/c1-4-15-8-13-11(9-16-2)10-6-5-7-12(17-3)14(10)18-13/h5-7,15H,4,8-9H2,1-3H3
InChIKeyOPUKAANWIRZXPW-UHFFFAOYSA-N
MW249.31 g/mol
LogP2.70
Rot. Bonds6

About N-[[7-methoxy-3-(methoxymethyl)-1-benzofuran-2-yl]methyl]ethanamine

N-[[7-methoxy-3-(methoxymethyl)-1-benzofuran-2-yl]methyl]ethanamine (PubChem CID 114375085) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is N-[[7-methoxy-3-(methoxymethyl)-1-benzofuran-2-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[7-methoxy-3-(methoxymethyl)-1-benzofuran-2-yl]methyl]ethanamine
PubChem CID114375085
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC NameN-[[7-methoxy-3-(methoxymethyl)-1-benzofuran-2-yl]methyl]ethanamine
SMILESCCNCc1oc2c(OC)cccc2c1COC
InChIInChI=1S/C14H19NO3/c1-4-15-8-13-11(9-16-2)10-6-5-7-12(17-3)14(10)18-13/h5-7,15H,4,8-9H2,1-3H3
InChIKeyOPUKAANWIRZXPW-UHFFFAOYSA-N
XLogP2.70
TPSA43.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[7-methoxy-3-(methoxymethyl)-1-benzofuran-2-yl]methyl]ethanamine with MolForge

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Related Compounds

N-[[7-methoxy-3-(methoxymethyl)-1-benzofuran-2-yl]methyl]propan-1-amine
CID 114375084
N-[[7-ethoxy-3-(methoxymethyl)-1-benzofuran-2-yl]methyl]ethanamine
CID 114376491
N-[(3-ethyl-7-propoxy-1-benzofuran-2-yl)methyl]ethanamine
CID 104843048
1-[7-methoxy-3-(2-methylpropyl)-1-benzofuran-2-yl]-N-methylmethanamine
CID 114375073
N-[(3-ethyl-7-methoxy-1-benzofuran-2-yl)methyl]-2-methylpropan-2-amine
CID 104842810
[7-ethoxy-3-(methoxymethyl)-1-benzofuran-2-yl]methanamine
CID 114376467
N-[[5-bromo-7-chloro-3-(methoxymethyl)-1-benzofuran-2-yl]methyl]ethanamine
CID 114376053
N-[(2,6-dimethoxyphenyl)methyl]ethanamine
CID 43163718
N-[[7-bromo-5-fluoro-3-(methoxymethyl)-1-benzofuran-2-yl]methyl]ethanamine
CID 114376801
N-[[7-tert-butyl-3-(methoxymethyl)-5-methyl-1-benzofuran-2-yl]methyl]ethanamine
CID 114375517
[7-methoxy-3-(2-methylpropyl)-1-benzofuran-2-yl]methanamine
CID 114375077
N-[(3-tert-butyl-7-propoxy-1-benzofuran-2-yl)methyl]ethanamine
CID 114376824

Frequently Asked Questions

What is the IUPAC name of N-[[7-methoxy-3-(methoxymethyl)-1-benzofuran-2-yl]methyl]ethanamine?
The IUPAC name of N-[[7-methoxy-3-(methoxymethyl)-1-benzofuran-2-yl]methyl]ethanamine (CID 114375085) is N-[[7-methoxy-3-(methoxymethyl)-1-benzofuran-2-yl]methyl]ethanamine.
What is the SMILES notation for N-[[7-methoxy-3-(methoxymethyl)-1-benzofuran-2-yl]methyl]ethanamine?
The canonical SMILES for N-[[7-methoxy-3-(methoxymethyl)-1-benzofuran-2-yl]methyl]ethanamine is CCNCc1oc2c(OC)cccc2c1COC.
What is the InChIKey of N-[[7-methoxy-3-(methoxymethyl)-1-benzofuran-2-yl]methyl]ethanamine?
The InChIKey is OPUKAANWIRZXPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3/c1-4-15-8-13-11(9-16-2)10-6-5-7-12(17-3)14(10)18-13/h5-7,15H,4,8-9H2,1-3H3.
What are the key properties of N-[[7-methoxy-3-(methoxymethyl)-1-benzofuran-2-yl]methyl]ethanamine?
N-[[7-methoxy-3-(methoxymethyl)-1-benzofuran-2-yl]methyl]ethanamine has a molecular weight of 249.31 g/mol, XLogP of 2.70, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[7-methoxy-3-(methoxymethyl)-1-benzofuran-2-yl]methyl]ethanamine is sourced from PubChem (CID 114375085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).