N-[[2-(furan-2-ylmethoxymethyl)-1-benzofuran-3-yl]methyl]ethanamine

C17H19NO3 — CID 62444856

IUPACN-[[2-(furan-2-ylmethoxymethyl)-1-benzofuran-3-yl]methyl]ethanamine
SMILESCCNCc1c(COCc2ccco2)oc2ccccc12
InChIInChI=1S/C17H19NO3/c1-2-18-10-15-14-7-3-4-8-16(14)21-17(15)12-19-11-13-6-5-9-20-13/h3-9,18H,2,10-12H2,1H3
InChIKeyRLHIGMPYAYXYOD-UHFFFAOYSA-N
MW285.34 g/mol
LogP3.85
Rot. Bonds7

About N-[[2-(furan-2-ylmethoxymethyl)-1-benzofuran-3-yl]methyl]ethanamine

N-[[2-(furan-2-ylmethoxymethyl)-1-benzofuran-3-yl]methyl]ethanamine (PubChem CID 62444856) has the molecular formula C17H19NO3 and a molecular weight of 285.34 g/mol. Its IUPAC name is N-[[2-(furan-2-ylmethoxymethyl)-1-benzofuran-3-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[2-(furan-2-ylmethoxymethyl)-1-benzofuran-3-yl]methyl]ethanamine
PubChem CID62444856
Molecular FormulaC17H19NO3
Molecular Weight285.34 g/mol
Exact Mass285.14
IUPAC NameN-[[2-(furan-2-ylmethoxymethyl)-1-benzofuran-3-yl]methyl]ethanamine
SMILESCCNCc1c(COCc2ccco2)oc2ccccc12
InChIInChI=1S/C17H19NO3/c1-2-18-10-15-14-7-3-4-8-16(14)21-17(15)12-19-11-13-6-5-9-20-13/h3-9,18H,2,10-12H2,1H3
InChIKeyRLHIGMPYAYXYOD-UHFFFAOYSA-N
XLogP3.85
TPSA47.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[2-(2-propoxyethoxymethyl)-1-benzofuran-3-yl]methyl]ethanamine
CID 63685145
N-[[2-(cyclohexyloxymethyl)-1-benzofuran-3-yl]methyl]ethanamine
CID 62446327
N-[[2-(butoxymethyl)-1-benzofuran-3-yl]methyl]propan-1-amine
CID 62449528
N-[[2-(oxolan-3-yloxymethyl)-1-benzofuran-3-yl]methyl]ethanamine
CID 63556330
N-[[5-(furan-2-ylmethoxymethyl)-1,2-oxazol-3-yl]methyl]ethanamine
CID 62444852
N-[[2-(but-3-enoxymethyl)-1-benzofuran-3-yl]methyl]propan-1-amine
CID 62443231
N-[[5-(furan-2-ylmethoxymethyl)furan-2-yl]methyl]propan-1-amine
CID 55073492
2-[2-[[(2-ethyl-1-benzofuran-3-yl)methylamino]methyl]phenoxy]ethanol
CID 111457839
1-cyclohexyl-N-[(2-ethyl-1-benzofuran-3-yl)methyl]methanamine
CID 43226082
N-[[4-fluoro-3-(furan-2-ylmethoxymethyl)phenyl]methyl]ethanamine
CID 107456817
1-[(2-ethyl-1-benzofuran-3-yl)methylamino]propan-2-ol
CID 43226104
N-[[3-[[ethyl(methyl)amino]methyl]-1-benzofuran-2-yl]methyl]ethanamine
CID 62418759

Frequently Asked Questions

What is the IUPAC name of N-[[2-(furan-2-ylmethoxymethyl)-1-benzofuran-3-yl]methyl]ethanamine?
The IUPAC name of N-[[2-(furan-2-ylmethoxymethyl)-1-benzofuran-3-yl]methyl]ethanamine (CID 62444856) is N-[[2-(furan-2-ylmethoxymethyl)-1-benzofuran-3-yl]methyl]ethanamine.
What is the SMILES notation for N-[[2-(furan-2-ylmethoxymethyl)-1-benzofuran-3-yl]methyl]ethanamine?
The canonical SMILES for N-[[2-(furan-2-ylmethoxymethyl)-1-benzofuran-3-yl]methyl]ethanamine is CCNCc1c(COCc2ccco2)oc2ccccc12.
What is the InChIKey of N-[[2-(furan-2-ylmethoxymethyl)-1-benzofuran-3-yl]methyl]ethanamine?
The InChIKey is RLHIGMPYAYXYOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO3/c1-2-18-10-15-14-7-3-4-8-16(14)21-17(15)12-19-11-13-6-5-9-20-13/h3-9,18H,2,10-12H2,1H3.
What are the key properties of N-[[2-(furan-2-ylmethoxymethyl)-1-benzofuran-3-yl]methyl]ethanamine?
N-[[2-(furan-2-ylmethoxymethyl)-1-benzofuran-3-yl]methyl]ethanamine has a molecular weight of 285.34 g/mol, XLogP of 3.85, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(furan-2-ylmethoxymethyl)-1-benzofuran-3-yl]methyl]ethanamine is sourced from PubChem (CID 62444856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).