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

C18H25NO2 — CID 62446327

IUPACN-[[2-(cyclohexyloxymethyl)-1-benzofuran-3-yl]methyl]ethanamine
SMILESCCNCc1c(COC2CCCCC2)oc2ccccc12
InChIInChI=1S/C18H25NO2/c1-2-19-12-16-15-10-6-7-11-17(15)21-18(16)13-20-14-8-4-3-5-9-14/h6-7,10-11,14,19H,2-5,8-9,12-13H2,1H3
InChIKeyFNPYRNXJZJCDSG-UHFFFAOYSA-N
MW287.40 g/mol
LogP4.39
Rot. Bonds6

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

N-[[2-(cyclohexyloxymethyl)-1-benzofuran-3-yl]methyl]ethanamine (PubChem CID 62446327) has the molecular formula C18H25NO2 and a molecular weight of 287.40 g/mol. Its IUPAC name is N-[[2-(cyclohexyloxymethyl)-1-benzofuran-3-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[2-(cyclohexyloxymethyl)-1-benzofuran-3-yl]methyl]ethanamine
PubChem CID62446327
Molecular FormulaC18H25NO2
Molecular Weight287.40 g/mol
Exact Mass287.19
IUPAC NameN-[[2-(cyclohexyloxymethyl)-1-benzofuran-3-yl]methyl]ethanamine
SMILESCCNCc1c(COC2CCCCC2)oc2ccccc12
InChIInChI=1S/C18H25NO2/c1-2-19-12-16-15-10-6-7-11-17(15)21-18(16)13-20-14-8-4-3-5-9-14/h6-7,10-11,14,19H,2-5,8-9,12-13H2,1H3
InChIKeyFNPYRNXJZJCDSG-UHFFFAOYSA-N
XLogP4.39
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
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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Frequently Asked Questions

What is the IUPAC name of N-[[2-(cyclohexyloxymethyl)-1-benzofuran-3-yl]methyl]ethanamine?
The IUPAC name of N-[[2-(cyclohexyloxymethyl)-1-benzofuran-3-yl]methyl]ethanamine (CID 62446327) is N-[[2-(cyclohexyloxymethyl)-1-benzofuran-3-yl]methyl]ethanamine.
What is the SMILES notation for N-[[2-(cyclohexyloxymethyl)-1-benzofuran-3-yl]methyl]ethanamine?
The canonical SMILES for N-[[2-(cyclohexyloxymethyl)-1-benzofuran-3-yl]methyl]ethanamine is CCNCc1c(COC2CCCCC2)oc2ccccc12.
What is the InChIKey of N-[[2-(cyclohexyloxymethyl)-1-benzofuran-3-yl]methyl]ethanamine?
The InChIKey is FNPYRNXJZJCDSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO2/c1-2-19-12-16-15-10-6-7-11-17(15)21-18(16)13-20-14-8-4-3-5-9-14/h6-7,10-11,14,19H,2-5,8-9,12-13H2,1H3.
What are the key properties of N-[[2-(cyclohexyloxymethyl)-1-benzofuran-3-yl]methyl]ethanamine?
N-[[2-(cyclohexyloxymethyl)-1-benzofuran-3-yl]methyl]ethanamine has a molecular weight of 287.40 g/mol, XLogP of 4.39, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(cyclohexyloxymethyl)-1-benzofuran-3-yl]methyl]ethanamine is sourced from PubChem (CID 62446327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).