1-[2-(cyclopentyloxymethyl)-1-benzofuran-3-yl]-N-methylmethanamine

C16H21NO2 — CID 62444638

IUPAC1-[2-(cyclopentyloxymethyl)-1-benzofuran-3-yl]-N-methylmethanamine
SMILESCNCc1c(COC2CCCC2)oc2ccccc12
InChIInChI=1S/C16H21NO2/c1-17-10-14-13-8-4-5-9-15(13)19-16(14)11-18-12-6-2-3-7-12/h4-5,8-9,12,17H,2-3,6-7,10-11H2,1H3
InChIKeyLOBZUBSKGJYWKF-UHFFFAOYSA-N
MW259.35 g/mol
LogP3.61
Rot. Bonds5

About 1-[2-(cyclopentyloxymethyl)-1-benzofuran-3-yl]-N-methylmethanamine

1-[2-(cyclopentyloxymethyl)-1-benzofuran-3-yl]-N-methylmethanamine (PubChem CID 62444638) has the molecular formula C16H21NO2 and a molecular weight of 259.35 g/mol. Its IUPAC name is 1-[2-(cyclopentyloxymethyl)-1-benzofuran-3-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[2-(cyclopentyloxymethyl)-1-benzofuran-3-yl]-N-methylmethanamine
PubChem CID62444638
Molecular FormulaC16H21NO2
Molecular Weight259.35 g/mol
Exact Mass259.16
IUPAC Name1-[2-(cyclopentyloxymethyl)-1-benzofuran-3-yl]-N-methylmethanamine
SMILESCNCc1c(COC2CCCC2)oc2ccccc12
InChIInChI=1S/C16H21NO2/c1-17-10-14-13-8-4-5-9-15(13)19-16(14)11-18-12-6-2-3-7-12/h4-5,8-9,12,17H,2-3,6-7,10-11H2,1H3
InChIKeyLOBZUBSKGJYWKF-UHFFFAOYSA-N
XLogP3.61
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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-(cyclohexyloxymethyl)-1-benzofuran-3-yl]methyl]ethanamine
CID 62446327
N-methyl-1-[2-[(2-methylcyclohexyl)oxymethyl]-1-benzofuran-3-yl]methanamine
CID 62443571
N-[[2-(cyclobutyloxymethyl)-1-benzofuran-3-yl]methyl]propan-1-amine
CID 62441049
N-[[3-(cyclobutyloxymethyl)-1-benzofuran-2-yl]methyl]-2-methylpropan-2-amine
CID 62443187
N-methyl-N-[[3-(methylaminomethyl)-1-benzofuran-2-yl]methyl]cyclohexanamine
CID 62424075
N-methyl-1-[2-(oxan-4-ylmethoxymethyl)-1-benzofuran-3-yl]methanamine
CID 62470710
N-[[2-(oxolan-3-yloxymethyl)-1-benzofuran-3-yl]methyl]ethanamine
CID 63556330
N-methyl-1-[2-[2-(2-methylpropoxy)ethoxymethyl]-1-benzofuran-3-yl]methanamine
CID 106449873
N-methyl-1-[2-(piperidin-1-ylmethyl)-1-benzofuran-3-yl]methanamine
CID 62424895
1-[2-(3,3-dimethylbutoxymethyl)-1-benzofuran-3-yl]-N-methylmethanamine
CID 66227085

Frequently Asked Questions

What is the IUPAC name of 1-[2-(cyclopentyloxymethyl)-1-benzofuran-3-yl]-N-methylmethanamine?
The IUPAC name of 1-[2-(cyclopentyloxymethyl)-1-benzofuran-3-yl]-N-methylmethanamine (CID 62444638) is 1-[2-(cyclopentyloxymethyl)-1-benzofuran-3-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[2-(cyclopentyloxymethyl)-1-benzofuran-3-yl]-N-methylmethanamine?
The canonical SMILES for 1-[2-(cyclopentyloxymethyl)-1-benzofuran-3-yl]-N-methylmethanamine is CNCc1c(COC2CCCC2)oc2ccccc12.
What is the InChIKey of 1-[2-(cyclopentyloxymethyl)-1-benzofuran-3-yl]-N-methylmethanamine?
The InChIKey is LOBZUBSKGJYWKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO2/c1-17-10-14-13-8-4-5-9-15(13)19-16(14)11-18-12-6-2-3-7-12/h4-5,8-9,12,17H,2-3,6-7,10-11H2,1H3.
What are the key properties of 1-[2-(cyclopentyloxymethyl)-1-benzofuran-3-yl]-N-methylmethanamine?
1-[2-(cyclopentyloxymethyl)-1-benzofuran-3-yl]-N-methylmethanamine has a molecular weight of 259.35 g/mol, XLogP of 3.61, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(cyclopentyloxymethyl)-1-benzofuran-3-yl]-N-methylmethanamine is sourced from PubChem (CID 62444638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).