[3-(cyclohexylmethoxymethyl)-1-benzofuran-2-yl]methanamine

C17H23NO2 — CID 62486710

IUPAC[3-(cyclohexylmethoxymethyl)-1-benzofuran-2-yl]methanamine
SMILESNCc1oc2ccccc2c1COCC1CCCCC1
InChIInChI=1S/C17H23NO2/c18-10-17-15(14-8-4-5-9-16(14)20-17)12-19-11-13-6-2-1-3-7-13/h4-5,8-9,13H,1-3,6-7,10-12,18H2
InChIKeyJVWBPZFGGYYVNM-UHFFFAOYSA-N
MW273.38 g/mol
LogP3.99
Rot. Bonds5

About [3-(cyclohexylmethoxymethyl)-1-benzofuran-2-yl]methanamine

[3-(cyclohexylmethoxymethyl)-1-benzofuran-2-yl]methanamine (PubChem CID 62486710) has the molecular formula C17H23NO2 and a molecular weight of 273.38 g/mol. Its IUPAC name is [3-(cyclohexylmethoxymethyl)-1-benzofuran-2-yl]methanamine.

Molecular Properties

Compound Name[3-(cyclohexylmethoxymethyl)-1-benzofuran-2-yl]methanamine
PubChem CID62486710
Molecular FormulaC17H23NO2
Molecular Weight273.38 g/mol
Exact Mass273.17
IUPAC Name[3-(cyclohexylmethoxymethyl)-1-benzofuran-2-yl]methanamine
SMILESNCc1oc2ccccc2c1COCC1CCCCC1
InChIInChI=1S/C17H23NO2/c18-10-17-15(14-8-4-5-9-16(14)20-17)12-19-11-13-6-2-1-3-7-13/h4-5,8-9,13H,1-3,6-7,10-12,18H2
InChIKeyJVWBPZFGGYYVNM-UHFFFAOYSA-N
XLogP3.99
TPSA48.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [3-(cyclohexylmethoxymethyl)-1-benzofuran-2-yl]methanamine?
The IUPAC name of [3-(cyclohexylmethoxymethyl)-1-benzofuran-2-yl]methanamine (CID 62486710) is [3-(cyclohexylmethoxymethyl)-1-benzofuran-2-yl]methanamine.
What is the SMILES notation for [3-(cyclohexylmethoxymethyl)-1-benzofuran-2-yl]methanamine?
The canonical SMILES for [3-(cyclohexylmethoxymethyl)-1-benzofuran-2-yl]methanamine is NCc1oc2ccccc2c1COCC1CCCCC1.
What is the InChIKey of [3-(cyclohexylmethoxymethyl)-1-benzofuran-2-yl]methanamine?
The InChIKey is JVWBPZFGGYYVNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO2/c18-10-17-15(14-8-4-5-9-16(14)20-17)12-19-11-13-6-2-1-3-7-13/h4-5,8-9,13H,1-3,6-7,10-12,18H2.
What are the key properties of [3-(cyclohexylmethoxymethyl)-1-benzofuran-2-yl]methanamine?
[3-(cyclohexylmethoxymethyl)-1-benzofuran-2-yl]methanamine has a molecular weight of 273.38 g/mol, XLogP of 3.99, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(cyclohexylmethoxymethyl)-1-benzofuran-2-yl]methanamine is sourced from PubChem (CID 62486710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).