N-[[2-(oxolan-3-yloxymethyl)-1-benzofuran-3-yl]methyl]ethanamine

C16H21NO3 — CID 63556330

IUPACN-[[2-(oxolan-3-yloxymethyl)-1-benzofuran-3-yl]methyl]ethanamine
SMILESCCNCc1c(COC2CCOC2)oc2ccccc12
InChIInChI=1S/C16H21NO3/c1-2-17-9-14-13-5-3-4-6-15(13)20-16(14)11-19-12-7-8-18-10-12/h3-6,12,17H,2,7-11H2,1H3
InChIKeyKHYVWOLWNREBLZ-UHFFFAOYSA-N
MW275.35 g/mol
LogP2.85
Rot. Bonds6

About N-[[2-(oxolan-3-yloxymethyl)-1-benzofuran-3-yl]methyl]ethanamine

N-[[2-(oxolan-3-yloxymethyl)-1-benzofuran-3-yl]methyl]ethanamine (PubChem CID 63556330) has the molecular formula C16H21NO3 and a molecular weight of 275.35 g/mol. Its IUPAC name is N-[[2-(oxolan-3-yloxymethyl)-1-benzofuran-3-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[2-(oxolan-3-yloxymethyl)-1-benzofuran-3-yl]methyl]ethanamine
PubChem CID63556330
Molecular FormulaC16H21NO3
Molecular Weight275.35 g/mol
Exact Mass275.15
IUPAC NameN-[[2-(oxolan-3-yloxymethyl)-1-benzofuran-3-yl]methyl]ethanamine
SMILESCCNCc1c(COC2CCOC2)oc2ccccc12
InChIInChI=1S/C16H21NO3/c1-2-17-9-14-13-5-3-4-6-15(13)20-16(14)11-19-12-7-8-18-10-12/h3-6,12,17H,2,7-11H2,1H3
InChIKeyKHYVWOLWNREBLZ-UHFFFAOYSA-N
XLogP2.85
TPSA43.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[2-(cyclohexyloxymethyl)-1-benzofuran-3-yl]methyl]ethanamine
CID 62446327
N-[[2-(cyclobutyloxymethyl)-1-benzofuran-3-yl]methyl]propan-1-amine
CID 62441049
N-[[2-(oxolan-3-yloxymethyl)phenyl]methyl]ethanamine
CID 63557703
1-[2-(cyclopentyloxymethyl)-1-benzofuran-3-yl]-N-methylmethanamine
CID 62444638
N-[[2-(oxolan-3-yloxymethyl)furan-3-yl]methyl]ethanamine
CID 63556926
1-[2-(cycloheptyloxymethyl)-1-benzofuran-3-yl]-N-methylmethanamine
CID 62459494
N-methyl-1-[2-[(4-methylcyclohexyl)oxymethyl]-1-benzofuran-3-yl]methanamine
CID 62443561
N-[[2-(2-propoxyethoxymethyl)-1-benzofuran-3-yl]methyl]ethanamine
CID 63685145
1-cyclohexyl-N-[(2-ethyl-1-benzofuran-3-yl)methyl]methanamine
CID 43226082
N-[[2-(furan-2-ylmethoxymethyl)-1-benzofuran-3-yl]methyl]ethanamine
CID 62444856
N-methyl-1-[2-(oxan-4-ylmethoxymethyl)-1-benzofuran-3-yl]methanamine
CID 62470710
1-cyclopropyl-N-[[3-(ethylaminomethyl)-1-benzofuran-2-yl]methyl]-N-methylethanamine
CID 62434140

Frequently Asked Questions

What is the IUPAC name of N-[[2-(oxolan-3-yloxymethyl)-1-benzofuran-3-yl]methyl]ethanamine?
The IUPAC name of N-[[2-(oxolan-3-yloxymethyl)-1-benzofuran-3-yl]methyl]ethanamine (CID 63556330) is N-[[2-(oxolan-3-yloxymethyl)-1-benzofuran-3-yl]methyl]ethanamine.
What is the SMILES notation for N-[[2-(oxolan-3-yloxymethyl)-1-benzofuran-3-yl]methyl]ethanamine?
The canonical SMILES for N-[[2-(oxolan-3-yloxymethyl)-1-benzofuran-3-yl]methyl]ethanamine is CCNCc1c(COC2CCOC2)oc2ccccc12.
What is the InChIKey of N-[[2-(oxolan-3-yloxymethyl)-1-benzofuran-3-yl]methyl]ethanamine?
The InChIKey is KHYVWOLWNREBLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO3/c1-2-17-9-14-13-5-3-4-6-15(13)20-16(14)11-19-12-7-8-18-10-12/h3-6,12,17H,2,7-11H2,1H3.
What are the key properties of N-[[2-(oxolan-3-yloxymethyl)-1-benzofuran-3-yl]methyl]ethanamine?
N-[[2-(oxolan-3-yloxymethyl)-1-benzofuran-3-yl]methyl]ethanamine has a molecular weight of 275.35 g/mol, XLogP of 2.85, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(oxolan-3-yloxymethyl)-1-benzofuran-3-yl]methyl]ethanamine is sourced from PubChem (CID 63556330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).