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

C15H21NO3 — CID 114376491

IUPACN-[[7-ethoxy-3-(methoxymethyl)-1-benzofuran-2-yl]methyl]ethanamine
SMILESCCNCc1oc2c(OCC)cccc2c1COC
InChIInChI=1S/C15H21NO3/c1-4-16-9-14-12(10-17-3)11-7-6-8-13(18-5-2)15(11)19-14/h6-8,16H,4-5,9-10H2,1-3H3
InChIKeyYKVFTAOKIGZJRP-UHFFFAOYSA-N
MW263.34 g/mol
LogP3.09
Rot. Bonds7

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

N-[[7-ethoxy-3-(methoxymethyl)-1-benzofuran-2-yl]methyl]ethanamine (PubChem CID 114376491) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is N-[[7-ethoxy-3-(methoxymethyl)-1-benzofuran-2-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[7-ethoxy-3-(methoxymethyl)-1-benzofuran-2-yl]methyl]ethanamine
PubChem CID114376491
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC NameN-[[7-ethoxy-3-(methoxymethyl)-1-benzofuran-2-yl]methyl]ethanamine
SMILESCCNCc1oc2c(OCC)cccc2c1COC
InChIInChI=1S/C15H21NO3/c1-4-16-9-14-12(10-17-3)11-7-6-8-13(18-5-2)15(11)19-14/h6-8,16H,4-5,9-10H2,1-3H3
InChIKeyYKVFTAOKIGZJRP-UHFFFAOYSA-N
XLogP3.09
TPSA43.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[7-methoxy-3-(methoxymethyl)-1-benzofuran-2-yl]methyl]ethanamine
CID 114375085
[7-ethoxy-3-(methoxymethyl)-1-benzofuran-2-yl]methanamine
CID 114376467
N-[[7-methoxy-3-(methoxymethyl)-1-benzofuran-2-yl]methyl]propan-1-amine
CID 114375084
N-[(3-ethyl-7-propoxy-1-benzofuran-2-yl)methyl]ethanamine
CID 104843048
1-(7-ethoxy-3-ethyl-1-benzofuran-2-yl)-N-methylmethanamine
CID 104842971
N-[(3-tert-butyl-7-propoxy-1-benzofuran-2-yl)methyl]ethanamine
CID 114376824
N-[(7-ethoxy-1-benzofuran-2-yl)methyl]ethanamine
CID 65440347
N-[[5-bromo-7-chloro-3-(methoxymethyl)-1-benzofuran-2-yl]methyl]ethanamine
CID 114376053
N-[[7-bromo-5-fluoro-3-(methoxymethyl)-1-benzofuran-2-yl]methyl]ethanamine
CID 114376801
N-[(3-ethyl-7-methoxy-1-benzofuran-2-yl)methyl]-2-methylpropan-2-amine
CID 104842810
N-[[7-tert-butyl-3-(methoxymethyl)-5-methyl-1-benzofuran-2-yl]methyl]ethanamine
CID 114375517
N-[[3-(methoxymethyl)-5-propan-2-yl-1-benzofuran-2-yl]methyl]ethanamine
CID 114376622

Frequently Asked Questions

What is the IUPAC name of N-[[7-ethoxy-3-(methoxymethyl)-1-benzofuran-2-yl]methyl]ethanamine?
The IUPAC name of N-[[7-ethoxy-3-(methoxymethyl)-1-benzofuran-2-yl]methyl]ethanamine (CID 114376491) is N-[[7-ethoxy-3-(methoxymethyl)-1-benzofuran-2-yl]methyl]ethanamine.
What is the SMILES notation for N-[[7-ethoxy-3-(methoxymethyl)-1-benzofuran-2-yl]methyl]ethanamine?
The canonical SMILES for N-[[7-ethoxy-3-(methoxymethyl)-1-benzofuran-2-yl]methyl]ethanamine is CCNCc1oc2c(OCC)cccc2c1COC.
What is the InChIKey of N-[[7-ethoxy-3-(methoxymethyl)-1-benzofuran-2-yl]methyl]ethanamine?
The InChIKey is YKVFTAOKIGZJRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c1-4-16-9-14-12(10-17-3)11-7-6-8-13(18-5-2)15(11)19-14/h6-8,16H,4-5,9-10H2,1-3H3.
What are the key properties of N-[[7-ethoxy-3-(methoxymethyl)-1-benzofuran-2-yl]methyl]ethanamine?
N-[[7-ethoxy-3-(methoxymethyl)-1-benzofuran-2-yl]methyl]ethanamine has a molecular weight of 263.34 g/mol, XLogP of 3.09, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[7-ethoxy-3-(methoxymethyl)-1-benzofuran-2-yl]methyl]ethanamine is sourced from PubChem (CID 114376491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).