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

C18H25NO2 — CID 62459494

IUPAC1-[2-(cycloheptyloxymethyl)-1-benzofuran-3-yl]-N-methylmethanamine
SMILESCNCc1c(COC2CCCCCC2)oc2ccccc12
InChIInChI=1S/C18H25NO2/c1-19-12-16-15-10-6-7-11-17(15)21-18(16)13-20-14-8-4-2-3-5-9-14/h6-7,10-11,14,19H,2-5,8-9,12-13H2,1H3
InChIKeyGADSPLXCWPMBAW-UHFFFAOYSA-N
MW287.40 g/mol
LogP4.39
Rot. Bonds5

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

1-[2-(cycloheptyloxymethyl)-1-benzofuran-3-yl]-N-methylmethanamine (PubChem CID 62459494) has the molecular formula C18H25NO2 and a molecular weight of 287.40 g/mol. Its IUPAC name is 1-[2-(cycloheptyloxymethyl)-1-benzofuran-3-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[2-(cycloheptyloxymethyl)-1-benzofuran-3-yl]-N-methylmethanamine
PubChem CID62459494
Molecular FormulaC18H25NO2
Molecular Weight287.40 g/mol
Exact Mass287.19
IUPAC Name1-[2-(cycloheptyloxymethyl)-1-benzofuran-3-yl]-N-methylmethanamine
SMILESCNCc1c(COC2CCCCCC2)oc2ccccc12
InChIInChI=1S/C18H25NO2/c1-19-12-16-15-10-6-7-11-17(15)21-18(16)13-20-14-8-4-2-3-5-9-14/h6-7,10-11,14,19H,2-5,8-9,12-13H2,1H3
InChIKeyGADSPLXCWPMBAW-UHFFFAOYSA-N
XLogP4.39
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.40
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(cyclopentyloxymethyl)-1-benzofuran-3-yl]-N-methylmethanamine
CID 62444638
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-methyl-N-[[3-(methylaminomethyl)-1-benzofuran-2-yl]methyl]cyclohexanamine
CID 62424075
N-[[3-(cyclobutyloxymethyl)-1-benzofuran-2-yl]methyl]-2-methylpropan-2-amine
CID 62443187
N-methyl-1-[2-(oxan-4-ylmethoxymethyl)-1-benzofuran-3-yl]methanamine
CID 62470710
N-methyl-1-[2-(piperidin-1-ylmethyl)-1-benzofuran-3-yl]methanamine
CID 62424895
N-[[2-(oxolan-3-yloxymethyl)-1-benzofuran-3-yl]methyl]ethanamine
CID 63556330
N-[(2-ethyl-1-benzofuran-3-yl)methyl]cyclooctanamine
CID 43226088
N-methyl-1-[2-[2-(2-methylpropoxy)ethoxymethyl]-1-benzofuran-3-yl]methanamine
CID 106449873

Frequently Asked Questions

What is the IUPAC name of 1-[2-(cycloheptyloxymethyl)-1-benzofuran-3-yl]-N-methylmethanamine?
The IUPAC name of 1-[2-(cycloheptyloxymethyl)-1-benzofuran-3-yl]-N-methylmethanamine (CID 62459494) is 1-[2-(cycloheptyloxymethyl)-1-benzofuran-3-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[2-(cycloheptyloxymethyl)-1-benzofuran-3-yl]-N-methylmethanamine?
The canonical SMILES for 1-[2-(cycloheptyloxymethyl)-1-benzofuran-3-yl]-N-methylmethanamine is CNCc1c(COC2CCCCCC2)oc2ccccc12.
What is the InChIKey of 1-[2-(cycloheptyloxymethyl)-1-benzofuran-3-yl]-N-methylmethanamine?
The InChIKey is GADSPLXCWPMBAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO2/c1-19-12-16-15-10-6-7-11-17(15)21-18(16)13-20-14-8-4-2-3-5-9-14/h6-7,10-11,14,19H,2-5,8-9,12-13H2,1H3.
What are the key properties of 1-[2-(cycloheptyloxymethyl)-1-benzofuran-3-yl]-N-methylmethanamine?
1-[2-(cycloheptyloxymethyl)-1-benzofuran-3-yl]-N-methylmethanamine has a molecular weight of 287.40 g/mol, XLogP of 4.39, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(cycloheptyloxymethyl)-1-benzofuran-3-yl]-N-methylmethanamine is sourced from PubChem (CID 62459494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).